9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone

C98H102N28O — CID 158588428

IUPAC9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone
SMILESCC1=NCC=C1c1cc(C(=O)N2CCCCC2)c2c(ccc3[nH]ncc32)n1.CC1=NCC=C1c1cc(CC2CC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(CN2CCCCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(N2CCCCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(N2CCN(C)CC2)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C21H21N5O.C20H22N6.C19H21N7.C19H20N6.C19H18N4/c1-13-14(7-8-22-13)19-11-15(21(27)26-9-3-2-4-10-26)20-16-12-23-25-17(16)5-6-18(20)24-19;1-13-15(10-21-24-13)19-9-14(12-26-7-3-2-4-8-26)20-16-11-22-25-17(16)5-6-18(20)23-19;1-12-13(10-20-23-12)17-9-18(26-7-5-25(2)6-8-26)19-14-11-21-24-15(14)3-4-16(19)22-17;1-12-13(10-20-23-12)17-9-18(25-7-3-2-4-8-25)19-14-11-21-24-15(14)5-6-16(19)22-17;1-11-14(6-7-20-11)18-9-13(8-12-2-3-12)19-15-10-21-23-16(15)4-5-17(19)22-18/h5-7,11-12H,2-4,8-10H2,1H3,(H,23,25);5-6,9-11H,2-4,7-8,12H2,1H3,(H,21,24)(H,22,25);3-4,9-11H,5-8H2,1-2H3,(H,20,23)(H,21,24);5-6,9-11H,2-4,7-8H2,1H3,(H,20,23)(H,21,24);4-6,9-10,12H,2-3,7-8H2,1H3,(H,21,23)
InChIKeyHUCYOAHHGBUTFY-UHFFFAOYSA-N
MW1688.09 g/mol
LogP17.67
Rot. Bonds12

About 9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone

9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone (PubChem CID 158588428) has the molecular formula C98H102N28O and a molecular weight of 1688.09 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone
PubChem CID158588428
Molecular FormulaC98H102N28O
Molecular Weight1688.09 g/mol
Exact Mass1686.88
IUPAC Name9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone
SMILESCC1=NCC=C1c1cc(C(=O)N2CCCCC2)c2c(ccc3[nH]ncc32)n1.CC1=NCC=C1c1cc(CC2CC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(CN2CCCCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(N2CCCCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(N2CCN(C)CC2)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C21H21N5O.C20H22N6.C19H21N7.C19H20N6.C19H18N4/c1-13-14(7-8-22-13)19-11-15(21(27)26-9-3-2-4-10-26)20-16-12-23-25-17(16)5-6-18(20)24-19;1-13-15(10-21-24-13)19-9-14(12-26-7-3-2-4-8-26)20-16-11-22-25-17(16)5-6-18(20)23-19;1-12-13(10-20-23-12)17-9-18(26-7-5-25(2)6-8-26)19-14-11-21-24-15(14)3-4-16(19)22-17;1-12-13(10-20-23-12)17-9-18(25-7-3-2-4-8-25)19-14-11-21-24-15(14)5-6-16(19)22-17;1-11-14(6-7-20-11)18-9-13(8-12-2-3-12)19-15-10-21-23-16(15)4-5-17(19)22-18/h5-7,11-12H,2-4,8-10H2,1H3,(H,23,25);5-6,9-11H,2-4,7-8,12H2,1H3,(H,21,24)(H,22,25);3-4,9-11H,5-8H2,1-2H3,(H,20,23)(H,21,24);5-6,9-11H,2-4,7-8H2,1H3,(H,20,23)(H,21,24);4-6,9-10,12H,2-3,7-8H2,1H3,(H,21,23)
InChIKeyHUCYOAHHGBUTFY-UHFFFAOYSA-N
XLogP17.67
TPSA351.88 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001688.09
LogP ≤ 517.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137087958
N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137102862
[(3S)-3,4-dimethylpiperazin-1-yl]-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
CID 142445183
[3-(dimethylamino)pyrrolidin-1-yl]-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
CID 147377412
N-[2-(4-methylpiperazin-1-yl)ethyl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
CID 154032466
N-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]butyl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
CID 155151662
(4-methylpiperazin-1-yl)-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
CID 155151734
[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
CID 155151738
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
CID 155151741
[(3R)-3,4-dimethylpiperazin-1-yl]-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
CID 155151800
(4R)-4-[3-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-indazol-1-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide
CID 157181828
1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-amino-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 157540657

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone?
The IUPAC name of 9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone (CID 158588428) is 9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for 9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone?
The canonical SMILES for 9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone is CC1=NCC=C1c1cc(C(=O)N2CCCCC2)c2c(ccc3[nH]ncc32)n1.CC1=NCC=C1c1cc(CC2CC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(CN2CCCCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(N2CCCCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(N2CCN(C)CC2)c2c(ccc3[nH]ncc32)n1.
What is the InChIKey of 9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone?
The InChIKey is HUCYOAHHGBUTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O.C20H22N6.C19H21N7.C19H20N6.C19H18N4/c1-13-14(7-8-22-13)19-11-15(21(27)26-9-3-2-4-10-26)20-16-12-23-25-17(16)5-6-18(20)24-19;1-13-15(10-21-24-13)19-9-14(12-26-7-3-2-4-8-26)20-16-11-22-25-17(16)5-6-18(20)23-19;1-12-13(10-20-23-12)17-9-18(26-7-5-25(2)6-8-26)19-14-11-21-24-15(14)3-4-16(19)22-17;1-12-13(10-20-23-12)17-9-18(25-7-3-2-4-8-25)19-14-11-21-24-15(14)5-6-16(19)22-17;1-11-14(6-7-20-11)18-9-13(8-12-2-3-12)19-15-10-21-23-16(15)4-5-17(19)22-18/h5-7,11-12H,2-4,8-10H2,1H3,(H,23,25);5-6,9-11H,2-4,7-8,12H2,1H3,(H,21,24)(H,22,25);3-4,9-11H,5-8H2,1-2H3,(H,20,23)(H,21,24);5-6,9-11H,2-4,7-8H2,1H3,(H,20,23)(H,21,24);4-6,9-10,12H,2-3,7-8H2,1H3,(H,21,23).
What are the key properties of 9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone?
9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone has a molecular weight of 1688.09 g/mol, XLogP of 17.67, 12 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 158588428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).