3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

C29H24N6O — CID 154657981

IUPAC3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCC1(NC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)CCc2cccnc21
InChIInChI=1S/C29H24N6O/c1-29(14-13-19-9-5-16-32-26(19)29)35-28(36)25-27(30)34-23(18-7-3-2-4-8-18)24(33-25)21-11-12-22-20(17-21)10-6-15-31-22/h2-12,15-17H,13-14H2,1H3,(H2,30,34)(H,35,36)
InChIKeyJWHWFJQCPXHNGN-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.93
Rot. Bonds4

About 3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154657981) has the molecular formula C29H24N6O and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154657981
Molecular FormulaC29H24N6O
Molecular Weight472.55 g/mol
Exact Mass472.20
IUPAC Name3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCC1(NC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)CCc2cccnc21
InChIInChI=1S/C29H24N6O/c1-29(14-13-19-9-5-16-32-26(19)29)35-28(36)25-27(30)34-23(18-7-3-2-4-8-18)24(33-25)21-11-12-22-20(17-21)10-6-15-31-22/h2-12,15-17H,13-14H2,1H3,(H2,30,34)(H,35,36)
InChIKeyJWHWFJQCPXHNGN-UHFFFAOYSA-N
XLogP4.93
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657820
3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604613
3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604777
3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154656204
3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604481
3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604804
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
3-amino-5-phenyl-N-(1-phenylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;1-phenylethanamine
CID 164995746
3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658269
3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154656358
3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658298
3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 155003048

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154657981) is 3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is CC1(NC(=O)c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)CCc2cccnc21.
What is the InChIKey of 3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is JWHWFJQCPXHNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O/c1-29(14-13-19-9-5-16-32-26(19)29)35-28(36)25-27(30)34-23(18-7-3-2-4-8-18)24(33-25)21-11-12-22-20(17-21)10-6-15-31-22/h2-12,15-17H,13-14H2,1H3,(H2,30,34)(H,35,36).
What are the key properties of 3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154657981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).