(5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one

C23H33ClN4O2 — CID 141301008

IUPAC(5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCCCC2)CC[C@@]12CCCN(c1ncc(N3CCC[C@H]3O)cc1Cl)C2
InChIInChI=1S/C23H33ClN4O2/c24-19-14-18(27-12-4-8-20(27)29)15-25-21(19)26-11-5-9-23(16-26)10-13-28(22(23)30)17-6-2-1-3-7-17/h14-15,17,20,29H,1-13,16H2/t20-,23-/m1/s1
InChIKeyWGQNUUJSGGVDFL-NFBKMPQASA-N
MW433.00 g/mol
LogP3.81
Rot. Bonds3

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

(5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 141301008) has the molecular formula C23H33ClN4O2 and a molecular weight of 433.00 g/mol. Its IUPAC name is (5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID141301008
Molecular FormulaC23H33ClN4O2
Molecular Weight433.00 g/mol
Exact Mass432.23
IUPAC Name(5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCCCC2)CC[C@@]12CCCN(c1ncc(N3CCC[C@H]3O)cc1Cl)C2
InChIInChI=1S/C23H33ClN4O2/c24-19-14-18(27-12-4-8-20(27)29)15-25-21(19)26-11-5-9-23(16-26)10-13-28(22(23)30)17-6-2-1-3-7-17/h14-15,17,20,29H,1-13,16H2/t20-,23-/m1/s1
InChIKeyWGQNUUJSGGVDFL-NFBKMPQASA-N
XLogP3.81
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.00
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one
CID 11524500
(5R)-9-(5-amino-3-chloro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 67504327
[5-chloro-6-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-pyridinyl]carbamic acid
CID 68750031
(5R)-9-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653359
9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722584
(5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653472
8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one
CID 143482726
(5R)-9-(3-bromo-5-methyl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653270
2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 143229463
2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile
CID 97155948
(5R)-9-(3-chloro-6-prop-2-ynyl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 173174898
(5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126403

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one (CID 141301008) is (5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCCCC2)CC[C@@]12CCCN(c1ncc(N3CCC[C@H]3O)cc1Cl)C2.
What is the InChIKey of (5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is WGQNUUJSGGVDFL-NFBKMPQASA-N. The full InChI is InChI=1S/C23H33ClN4O2/c24-19-14-18(27-12-4-8-20(27)29)15-25-21(19)26-11-5-9-23(16-26)10-13-28(22(23)30)17-6-2-1-3-7-17/h14-15,17,20,29H,1-13,16H2/t20-,23-/m1/s1.
What are the key properties of (5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 433.00 g/mol, XLogP of 3.81, 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-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 141301008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).