1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one

C18H21N5O — CID 67458151

IUPAC1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
SMILESNC1CCC(Nn2ccc(-c3c[nH]c4ncccc34)cc2=O)CC1
InChIInChI=1S/C18H21N5O/c19-13-3-5-14(6-4-13)22-23-9-7-12(10-17(23)24)16-11-21-18-15(16)2-1-8-20-18/h1-2,7-11,13-14,22H,3-6,19H2,(H,20,21)
InChIKeyWBZQPXPNUUZDMT-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.20
Rot. Bonds3

About 1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one

1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one (PubChem CID 67458151) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
PubChem CID67458151
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
SMILESNC1CCC(Nn2ccc(-c3c[nH]c4ncccc34)cc2=O)CC1
InChIInChI=1S/C18H21N5O/c19-13-3-5-14(6-4-13)22-23-9-7-12(10-17(23)24)16-11-21-18-15(16)2-1-8-20-18/h1-2,7-11,13-14,22H,3-6,19H2,(H,20,21)
InChIKeyWBZQPXPNUUZDMT-UHFFFAOYSA-N
XLogP2.20
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one with MolForge

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Related Compounds

trans-N1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl)cyclohexane-1,4-diamine
CID 44415997
N-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]prop-2-enamide
CID 69990516
2-(cyclohexylamino)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4(3H)-one
CID 135962806
2-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
CID 135962807
2-anilino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4(3H)-one
CID 135962808
2-(oxan-4-ylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
CID 135962822
2-[cyclohexyl(methyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
CID 135962829
2-[bis(2-methoxyethyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
CID 135962835
2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
CID 135962852
2-[(1-methylpiperidin-4-yl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
CID 135962854
2-phenyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4(3H)-one
CID 135962857
6-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 57392258

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The IUPAC name of 1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one (CID 67458151) is 1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one.
What is the SMILES notation for 1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The canonical SMILES for 1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one is NC1CCC(Nn2ccc(-c3c[nH]c4ncccc34)cc2=O)CC1.
What is the InChIKey of 1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The InChIKey is WBZQPXPNUUZDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c19-13-3-5-14(6-4-13)22-23-9-7-12(10-17(23)24)16-11-21-18-15(16)2-1-8-20-18/h1-2,7-11,13-14,22H,3-6,19H2,(H,20,21).
What are the key properties of 1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one has a molecular weight of 323.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminocyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one is sourced from PubChem (CID 67458151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).