(5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

C24H29ClN4O2 — CID 58653359

IUPAC(5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1ncc(-c3cccnc3)cc1Cl)C2
InChIInChI=1S/C24H29ClN4O2/c25-21-13-18(17-3-1-10-26-14-17)15-27-22(21)28-11-2-8-24(16-28)9-12-29(23(24)31)19-4-6-20(30)7-5-19/h1,3,10,13-15,19-20,30H,2,4-9,11-12,16H2/t19?,20?,24-/m1/s1
InChIKeyHHDOCODMLHWUEQ-ZSHKSDETSA-N
MW440.98 g/mol
LogP3.92
Rot. Bonds3

About (5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 58653359) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is (5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID58653359
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name(5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1ncc(-c3cccnc3)cc1Cl)C2
InChIInChI=1S/C24H29ClN4O2/c25-21-13-18(17-3-1-10-26-14-17)15-27-22(21)28-11-2-8-24(16-28)9-12-29(23(24)31)19-4-6-20(30)7-5-19/h1,3,10,13-15,19-20,30H,2,4-9,11-12,16H2/t19?,20?,24-/m1/s1
InChIKeyHHDOCODMLHWUEQ-ZSHKSDETSA-N
XLogP3.92
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide
CID 67507985
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide
CID 67508976
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 67509754
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(2-hydroxycyclohexyl)piperidine-4-carboxamide
CID 77304813
[1-[5-Chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-[3-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 89736113
[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 89736380
2-(3-chloropyridin-2-yl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72901386
2-(5-chloro-2-pyridinyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72880447
9-(5-Chloropyridin-2-yl)-2-(trans-4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72861751
2-(trans-4-Hydroxycyclohexyl)-7-[5-(trifluoromethyl)pyridin-2-yl]-2,7-diazaspiro[4.5]decan-1-one
CID 11502150
2-(4-Hydroxycyclohexyl)-9-[4-(trifluoromethyl)pyridin-2-yl]-2,9-diazaspiro[4.5]decan-1-one
CID 11589346
9-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 11618879

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 58653359) is (5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1ncc(-c3cccnc3)cc1Cl)C2.
What is the InChIKey of (5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is HHDOCODMLHWUEQ-ZSHKSDETSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c25-21-13-18(17-3-1-10-26-14-17)15-27-22(21)28-11-2-8-24(16-28)9-12-29(23(24)31)19-4-6-20(30)7-5-19/h1,3,10,13-15,19-20,30H,2,4-9,11-12,16H2/t19?,20?,24-/m1/s1.
What are the key properties of (5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 440.98 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58653359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).