N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide

C99H118N26O4 — CID 167576290

IUPACN-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
SMILESCN1CCC(CCCn2nccc2C(=O)NCc2ccc3c(N)nccc3c2)CC1.CN1CCC(CCn2nccc2C(=O)NCc2ccc3c(N)nccc3c2)CC1.Cc1cc(C(=O)NCc2ccc3c(N)nccc3c2)n(CC2CCN(c3ccncc3)CC2)n1.Nc1nccc2cc(CNC(=O)c3cc(C4CC4)nn3CC3CCN(c4ccncc4)CC3)ccc12
InChIInChI=1S/C28H31N7O.C26H29N7O.C23H30N6O.C22H28N6O/c29-27-24-4-1-20(15-22(24)5-12-31-27)17-32-28(36)26-16-25(21-2-3-21)33-35(26)18-19-8-13-34(14-9-19)23-6-10-30-11-7-23;1-18-14-24(26(34)30-16-20-2-3-23-21(15-20)4-11-29-25(23)27)33(31-18)17-19-7-12-32(13-8-19)22-5-9-28-10-6-22;1-28-13-8-17(9-14-28)3-2-12-29-21(7-11-27-29)23(30)26-16-18-4-5-20-19(15-18)6-10-25-22(20)24;1-27-11-6-16(7-12-27)8-13-28-20(5-10-26-28)22(29)25-15-17-2-3-19-18(14-17)4-9-24-21(19)23/h1,4-7,10-12,15-16,19,21H,2-3,8-9,13-14,17-18H2,(H2,29,31)(H,32,36);2-6,9-11,14-15,19H,7-8,12-13,16-17H2,1H3,(H2,27,29)(H,30,34);4-7,10-11,15,17H,2-3,8-9,12-14,16H2,1H3,(H2,24,25)(H,26,30);2-5,9-10,14,16H,6-8,11-13,15H2,1H3,(H2,23,24)(H,25,29)
InChIKeyGOSPYYVEOARHPJ-UHFFFAOYSA-N
MW1736.21 g/mol
LogP13.44
Rot. Bonds26

About N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide

N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 167576290) has the molecular formula C99H118N26O4 and a molecular weight of 1736.21 g/mol. Its IUPAC name is N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID167576290
Molecular FormulaC99H118N26O4
Molecular Weight1736.21 g/mol
Exact Mass1734.98
IUPAC NameN-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
SMILESCN1CCC(CCCn2nccc2C(=O)NCc2ccc3c(N)nccc3c2)CC1.CN1CCC(CCn2nccc2C(=O)NCc2ccc3c(N)nccc3c2)CC1.Cc1cc(C(=O)NCc2ccc3c(N)nccc3c2)n(CC2CCN(c3ccncc3)CC2)n1.Nc1nccc2cc(CNC(=O)c3cc(C4CC4)nn3CC3CCN(c4ccncc4)CC3)ccc12
InChIInChI=1S/C28H31N7O.C26H29N7O.C23H30N6O.C22H28N6O/c29-27-24-4-1-20(15-22(24)5-12-31-27)17-32-28(36)26-16-25(21-2-3-21)33-35(26)18-19-8-13-34(14-9-19)23-6-10-30-11-7-23;1-18-14-24(26(34)30-16-20-2-3-23-21(15-20)4-11-29-25(23)27)33(31-18)17-19-7-12-32(13-8-19)22-5-9-28-10-6-22;1-28-13-8-17(9-14-28)3-2-12-29-21(7-11-27-29)23(30)26-16-18-4-5-20-19(15-18)6-10-25-22(20)24;1-27-11-6-16(7-12-27)8-13-28-20(5-10-26-28)22(29)25-15-17-2-3-19-18(14-17)4-9-24-21(19)23/h1,4-7,10-12,15-16,19,21H,2-3,8-9,13-14,17-18H2,(H2,29,31)(H,32,36);2-6,9-11,14-15,19H,7-8,12-13,16-17H2,1H3,(H2,27,29)(H,30,34);4-7,10-11,15,17H,2-3,8-9,12-14,16H2,1H3,(H2,24,25)(H,26,30);2-5,9-10,14,16H,6-8,11-13,15H2,1H3,(H2,23,24)(H,25,29)
InChIKeyGOSPYYVEOARHPJ-UHFFFAOYSA-N
XLogP13.44
TPSA382.06 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001736.21
LogP ≤ 513.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

(5-Amino-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)(piperazin-1-yl)methanone
CID 118660710
(5-amino-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)(pyrrolidin-1-yl)methanone
CID 118660910
1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]piperidine-4-carboxamide
CID 132056290
US9533987, example 28
CID 86344562
US10221161, Example 3
CID 117889735
US10221161, Example 11
CID 117890119
US10221161, Example 8
CID 117890488
5-[1-[5-[3-carbamoyl-1-[2-[2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-4-pyridinyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridazin-3-yl]pyridazin-1-ium-4-yl]-1-[2-[4-fluoro-2-[[2-(5-methyl-3-oxopyrazolidin-1-yl)-3-pyridinyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 123927541
N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone
CID 157407134
8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(2,5-dihydropyrrol-1-yl)isoquinoline;8-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)isoquinoline;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;5-tert-butyl-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one
CID 157537924
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 158479872
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7H-pyrrolo[2,3-b]pyridin-6-one;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]-2-pyridinyl]pentan-2-one;4-[1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 158501036

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide (CID 167576290) is N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide is CN1CCC(CCCn2nccc2C(=O)NCc2ccc3c(N)nccc3c2)CC1.CN1CCC(CCn2nccc2C(=O)NCc2ccc3c(N)nccc3c2)CC1.Cc1cc(C(=O)NCc2ccc3c(N)nccc3c2)n(CC2CCN(c3ccncc3)CC2)n1.Nc1nccc2cc(CNC(=O)c3cc(C4CC4)nn3CC3CCN(c4ccncc4)CC3)ccc12.
What is the InChIKey of N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is GOSPYYVEOARHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O.C26H29N7O.C23H30N6O.C22H28N6O/c29-27-24-4-1-20(15-22(24)5-12-31-27)17-32-28(36)26-16-25(21-2-3-21)33-35(26)18-19-8-13-34(14-9-19)23-6-10-30-11-7-23;1-18-14-24(26(34)30-16-20-2-3-23-21(15-20)4-11-29-25(23)27)33(31-18)17-19-7-12-32(13-8-19)22-5-9-28-10-6-22;1-28-13-8-17(9-14-28)3-2-12-29-21(7-11-27-29)23(30)26-16-18-4-5-20-19(15-18)6-10-25-22(20)24;1-27-11-6-16(7-12-27)8-13-28-20(5-10-26-28)22(29)25-15-17-2-3-19-18(14-17)4-9-24-21(19)23/h1,4-7,10-12,15-16,19,21H,2-3,8-9,13-14,17-18H2,(H2,29,31)(H,32,36);2-6,9-11,14-15,19H,7-8,12-13,16-17H2,1H3,(H2,27,29)(H,30,34);4-7,10-11,15,17H,2-3,8-9,12-14,16H2,1H3,(H2,24,25)(H,26,30);2-5,9-10,14,16H,6-8,11-13,15H2,1H3,(H2,23,24)(H,25,29).
What are the key properties of N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide?
N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 1736.21 g/mol, XLogP of 13.44, 26 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyclopropyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-2-[3-(1-methylpiperidin-4-yl)propyl]pyrazole-3-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 167576290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).