1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

C21H22N6O — CID 42635944

IUPAC1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESC[C@H](Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1
InChIInChI=1S/C21H22N6O/c1-11(12-3-4-12)25-21-18-15-6-5-13(14-8-24-27(2)10-14)7-17(15)26-19(18)16(9-23-21)20(22)28/h5-12,26H,3-4H2,1-2H3,(H2,22,28)(H,23,25)/t11-/m0/s1
InChIKeyFSHBEPXUOKWEBA-NSHDSACASA-N
MW374.45 g/mol
LogP3.43
Rot. Bonds5

About 1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 42635944) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID42635944
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESC[C@H](Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1
InChIInChI=1S/C21H22N6O/c1-11(12-3-4-12)25-21-18-15-6-5-13(14-8-24-27(2)10-14)7-17(15)26-19(18)16(9-23-21)20(22)28/h5-12,26H,3-4H2,1-2H3,(H2,22,28)(H,23,25)/t11-/m0/s1
InChIKeyFSHBEPXUOKWEBA-NSHDSACASA-N
XLogP3.43
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Bms-582949
CID 10409068
Gsk 343
CID 71268957
Unc1999
CID 72551585
1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide
CID 168007913
7-(2-Aminopyrimidin-5-yl)-1-{[(1r)-1-cyclopropyl-2,2,2-trifluoroethyl]amino}-5h-pyrido[4,3-b]indole-4-carboxamide
CID 42622934
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635854
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635855
7-(2-Aminopyrimidin-5-yl)-1-[(dicyclopropylmethyl)amino]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635901
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CID 54596764
(1R,2S)-1'-methyl-2-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 58486297
5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide
CID 146597342
5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carboxamide
CID 146646636

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 42635944) is 1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is C[C@H](Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1.
What is the InChIKey of 1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is FSHBEPXUOKWEBA-NSHDSACASA-N. The full InChI is InChI=1S/C21H22N6O/c1-11(12-3-4-12)25-21-18-15-6-5-13(14-8-24-27(2)10-14)7-17(15)26-19(18)16(9-23-21)20(22)28/h5-12,26H,3-4H2,1-2H3,(H2,22,28)(H,23,25)/t11-/m0/s1.
What are the key properties of 1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 42635944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).