N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide

C69H73F3N18O5 — CID 161089712

IUPACN-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCNC(=O)Nc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N[C@@H]3CCN(C)CC3(F)F)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC(=O)NC3CC3)c2)c1
InChIInChI=1S/C25H27F3N6O.C23H24N6O2.C21H22N6O2/c1-15-7-22(26)21(24(35)32-17-3-4-17)9-20(15)16-10-30-34(13-16)19-8-18(11-29-12-19)31-23-5-6-33(2)14-25(23,27)28;1-14-2-3-15(22(30)26-17-4-5-17)8-21(14)16-10-25-29(13-16)20-9-19(11-24-12-20)28-23(31)27-18-6-7-18;1-13-3-4-14(20(28)25-16-5-6-16)7-19(13)15-9-24-27(12-15)18-8-17(10-23-11-18)26-21(29)22-2/h7-13,17,23,31H,3-6,14H2,1-2H3,(H,32,35);2-3,8-13,17-18H,4-7H2,1H3,(H,26,30)(H2,27,28,31);3-4,7-12,16H,5-6H2,1-2H3,(H,25,28)(H2,22,26,29)/t23-;;/m1../s1
InChIKeyUGZYBTSXUGBEEP-MQWQBNKOSA-N
MW1291.46 g/mol
LogP10.33
Rot. Bonds17

About N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 161089712) has the molecular formula C69H73F3N18O5 and a molecular weight of 1291.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID161089712
Molecular FormulaC69H73F3N18O5
Molecular Weight1291.46 g/mol
Exact Mass1290.60
IUPAC NameN-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCNC(=O)Nc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N[C@@H]3CCN(C)CC3(F)F)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC(=O)NC3CC3)c2)c1
InChIInChI=1S/C25H27F3N6O.C23H24N6O2.C21H22N6O2/c1-15-7-22(26)21(24(35)32-17-3-4-17)9-20(15)16-10-30-34(13-16)19-8-18(11-29-12-19)31-23-5-6-33(2)14-25(23,27)28;1-14-2-3-15(22(30)26-17-4-5-17)8-21(14)16-10-25-29(13-16)20-9-19(11-24-12-20)28-23(31)27-18-6-7-18;1-13-3-4-14(20(28)25-16-5-6-16)7-19(13)15-9-24-27(12-15)18-8-17(10-23-11-18)26-21(29)22-2/h7-13,17,23,31H,3-6,14H2,1-2H3,(H,32,35);2-3,8-13,17-18H,4-7H2,1H3,(H,26,30)(H2,27,28,31);3-4,7-12,16H,5-6H2,1-2H3,(H,25,28)(H2,22,26,29)/t23-;;/m1../s1
InChIKeyUGZYBTSXUGBEEP-MQWQBNKOSA-N
XLogP10.33
TPSA276.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001291.46
LogP ≤ 510.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide with MolForge

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Related Compounds

2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenylpyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 118393347
US10138222, Example 174
CID 134325440
US10138222, Example 175
CID 134325451
US10138222, Example 176
CID 134325497
US10138222, Example 169
CID 134335691
US10138222, Example 170
CID 134335692
US10138222, Example 158
CID 134325332
US10138222, Example 108
CID 134325435
[3-Methyl-4-[[4-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carbonyl]phenyl]pyrazol-1-yl]methyl]-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]-(5-methyl-2-pyridin-3-ylphenyl)methanone
CID 123596889
[5-Methyl-2-[1-[2-[1-(5-methyl-2-pyrazin-2-ylbenzoyl)-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-3-yl]ethyl]pyrazol-3-yl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123736718
4-[6-[4-[(2R)-1-[1-[2-[4-[6-[4-(4-fluoro-1-propan-2-ylpiperidin-4-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carbonyl]cyclopropyl]propan-2-yl]-2-methylpyrrolidin-2-yl]phenyl]pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
CID 132034215
N-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 134325452

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide (CID 161089712) is N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide is CNC(=O)Nc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N[C@@H]3CCN(C)CC3(F)F)c2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC(=O)NC3CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is UGZYBTSXUGBEEP-MQWQBNKOSA-N. The full InChI is InChI=1S/C25H27F3N6O.C23H24N6O2.C21H22N6O2/c1-15-7-22(26)21(24(35)32-17-3-4-17)9-20(15)16-10-30-34(13-16)19-8-18(11-29-12-19)31-23-5-6-33(2)14-25(23,27)28;1-14-2-3-15(22(30)26-17-4-5-17)8-21(14)16-10-25-29(13-16)20-9-19(11-24-12-20)28-23(31)27-18-6-7-18;1-13-3-4-14(20(28)25-16-5-6-16)7-19(13)15-9-24-27(12-15)18-8-17(10-23-11-18)26-21(29)22-2/h7-13,17,23,31H,3-6,14H2,1-2H3,(H,32,35);2-3,8-13,17-18H,4-7H2,1H3,(H,26,30)(H2,27,28,31);3-4,7-12,16H,5-6H2,1-2H3,(H,25,28)(H2,22,26,29)/t23-;;/m1../s1.
What are the key properties of N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 1291.46 g/mol, XLogP of 10.33, 17 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-5-[1-[5-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[5-(methylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 161089712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).