3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one

C27H29N5O2 — CID 147863392

IUPAC3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESCc1cc(N)nc2c1C(CC(=O)c1cnn(Cc3ccc(CN4CC5CC5C4=O)cc3)c1)CC2
InChIInChI=1S/C27H29N5O2/c1-16-8-25(28)30-23-7-6-19(26(16)23)10-24(33)21-11-29-32(15-21)13-18-4-2-17(3-5-18)12-31-14-20-9-22(20)27(31)34/h2-5,8,11,15,19-20,22H,6-7,9-10,12-14H2,1H3,(H2,28,30)
InChIKeyHXDOCTWAYAEWCM-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.50
Rot. Bonds7

About 3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one

3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 147863392) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID147863392
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESCc1cc(N)nc2c1C(CC(=O)c1cnn(Cc3ccc(CN4CC5CC5C4=O)cc3)c1)CC2
InChIInChI=1S/C27H29N5O2/c1-16-8-25(28)30-23-7-6-19(26(16)23)10-24(33)21-11-29-32(15-21)13-18-4-2-17(3-5-18)12-31-14-20-9-22(20)27(31)34/h2-5,8,11,15,19-20,22H,6-7,9-10,12-14H2,1H3,(H2,28,30)
InChIKeyHXDOCTWAYAEWCM-UHFFFAOYSA-N
XLogP3.50
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one (CID 147863392) is 3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one is Cc1cc(N)nc2c1C(CC(=O)c1cnn(Cc3ccc(CN4CC5CC5C4=O)cc3)c1)CC2.
What is the InChIKey of 3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is HXDOCTWAYAEWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-16-8-25(28)30-23-7-6-19(26(16)23)10-24(33)21-11-29-32(15-21)13-18-4-2-17(3-5-18)12-31-14-20-9-22(20)27(31)34/h2-5,8,11,15,19-20,22H,6-7,9-10,12-14H2,1H3,(H2,28,30).
What are the key properties of 3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?
3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 455.56 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 147863392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).