5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile

C23H19FN8 — CID 162655546

IUPAC5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
SMILESCCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(C#N)c3)c(-n3ccc(CN)n3)c12
InChIInChI=1S/C23H19FN8/c1-2-28-19-7-15(24)6-17-20-22(32-4-3-16(9-26)31-32)18(12-29-23(20)30-21(17)19)14-5-13(8-25)10-27-11-14/h3-7,10-12,28H,2,9,26H2,1H3,(H,29,30)
InChIKeyICZZXCRZLPTOBM-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.87
Rot. Bonds5

About 5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile

5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile (PubChem CID 162655546) has the molecular formula C23H19FN8 and a molecular weight of 426.46 g/mol. Its IUPAC name is 5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
PubChem CID162655546
Molecular FormulaC23H19FN8
Molecular Weight426.46 g/mol
Exact Mass426.17
IUPAC Name5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
SMILESCCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(C#N)c3)c(-n3ccc(CN)n3)c12
InChIInChI=1S/C23H19FN8/c1-2-28-19-7-15(24)6-17-20-22(32-4-3-16(9-26)31-32)18(12-29-23(20)30-21(17)19)14-5-13(8-25)10-27-11-14/h3-7,10-12,28H,2,9,26H2,1H3,(H,29,30)
InChIKeyICZZXCRZLPTOBM-UHFFFAOYSA-N
XLogP3.87
TPSA121.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[8-(ethylamino)-6-fluoro-4-[4-(trifluoromethyl)imidazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
CID 162644721
N-ethyl-6-fluoro-3-(5-fluoro-3-pyridinyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146596199
N-ethyl-6-fluoro-3-[5-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 162667004
3-(6-amino-3-pyridinyl)-N-ethyl-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146597339
5-[4-(3-aminopyrrolidin-1-yl)-6-fluoro-8-(methylamino)-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
CID 146641609
6-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 135346755
5-[4-[2-(aminomethyl)morpholin-4-yl]-5,6-difluoro-8-(methylamino)-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
CID 146641858
5-[5-(aminomethyl)-2-methylphenyl]pyridine-3-carbonitrile
CID 105409204
butyl N-ethyl-N-[6-fluoro-3-[2-[1-(methylcarbamoyl)cyclopropyl]pyrimidin-5-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-yl]carbamate
CID 146597050
5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile
CID 78321150
2-[4-[3-(aminomethyl)azetidin-1-yl]-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carbonitrile
CID 139392731
6-[4-[(6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-6-fluoro-8-(methylamino)-9H-pyrido[2,3-b]indol-3-yl]-1-(ethylamino)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 153198032

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile (CID 162655546) is 5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile is CCNc1cc(F)cc2c1[nH]c1ncc(-c3cncc(C#N)c3)c(-n3ccc(CN)n3)c12.
What is the InChIKey of 5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile?
The InChIKey is ICZZXCRZLPTOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN8/c1-2-28-19-7-15(24)6-17-20-22(32-4-3-16(9-26)31-32)18(12-29-23(20)30-21(17)19)14-5-13(8-25)10-27-11-14/h3-7,10-12,28H,2,9,26H2,1H3,(H,29,30).
What are the key properties of 5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile?
5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile has a molecular weight of 426.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(aminomethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 162655546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).