(8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

C26H34N4O2 — CID 54668494

IUPAC(8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
SMILESO=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1
InChIInChI=1S/C26H34N4O2/c31-18-24-25(21-9-7-19(8-10-21)20-11-13-27-14-12-20)23-17-29(15-3-4-16-30(23)24)26(32)28-22-5-1-2-6-22/h7-14,22-25,31H,1-6,15-18H2,(H,28,32)/t23-,24-,25-/m1/s1
InChIKeyGZZVVNXBENMUSU-UBFVSLLYSA-N
MW434.58 g/mol
LogP3.63
Rot. Bonds4

About (8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

(8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (PubChem CID 54668494) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is (8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide.

Molecular Properties

Compound Name(8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
PubChem CID54668494
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name(8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
SMILESO=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1
InChIInChI=1S/C26H34N4O2/c31-18-24-25(21-9-7-19(8-10-21)20-11-13-27-14-12-20)23-17-29(15-3-4-16-30(23)24)26(32)28-22-5-1-2-6-22/h7-14,22-25,31H,1-6,15-18H2,(H,28,32)/t23-,24-,25-/m1/s1
InChIKeyGZZVVNXBENMUSU-UBFVSLLYSA-N
XLogP3.63
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

cyclopentyl-[(8S,9R,10S)-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone
CID 54669428
cyclopropyl-[(8R,9R,10S)-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone
CID 54669410
(8R,9S,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pent-1-ynylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
CID 54667796
(8S,9S,10S)-N-cyclopentyl-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
CID 54668006
1-[(8S,9S,10S)-10-(hydroxymethyl)-9-[4-(4-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-pyridin-4-ylethanone
CID 54666613
1-[(8S,9R,10R)-10-(hydroxymethyl)-9-[4-(4-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-pyridin-4-ylethanone
CID 54666618
cyclobutyl-[(8R,9R,10R)-10-(hydroxymethyl)-9-[4-(4-methylphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone
CID 70701244
1-[(8R,9S,10R)-10-(hydroxymethyl)-9-(4-phenylphenyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]ethanone
CID 54666386
(8S,9S,10S)-10-(hydroxymethyl)-9-[4-(4-methoxyphenyl)phenyl]-N-propan-2-yl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
CID 54667372
1-[(8S,9R,10S)-9-[4-(4-fluorophenyl)phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]ethanone
CID 54668206
1-[(8S,9S,10S)-10-(hydroxymethyl)-9-(4-phenylphenyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-methoxyethanone
CID 54669000
1-[(8S,9S,10S)-9-[4-(4-fluorophenyl)phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-pyridin-2-ylethanone
CID 54669218

Frequently Asked Questions

What is the IUPAC name of (8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide?
The IUPAC name of (8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CID 54668494) is (8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide.
What is the SMILES notation for (8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide?
The canonical SMILES for (8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide is O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1.
What is the InChIKey of (8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide?
The InChIKey is GZZVVNXBENMUSU-UBFVSLLYSA-N. The full InChI is InChI=1S/C26H34N4O2/c31-18-24-25(21-9-7-19(8-10-21)20-11-13-27-14-12-20)23-17-29(15-3-4-16-30(23)24)26(32)28-22-5-1-2-6-22/h7-14,22-25,31H,1-6,15-18H2,(H,28,32)/t23-,24-,25-/m1/s1.
What are the key properties of (8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide?
(8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9R,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-(4-pyridin-4-ylphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide is sourced from PubChem (CID 54668494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).