(4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one

C24H29N5O3 — CID 92577519

IUPAC(4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one
SMILESO=C1CCCC[C@]2(CN(C(=O)c3ccnc(N4CCOCC4)c3)C[C@H]2c2ccccn2)N1
InChIInChI=1S/C24H29N5O3/c30-22-6-1-3-8-24(27-22)17-29(16-19(24)20-5-2-4-9-25-20)23(31)18-7-10-26-21(15-18)28-11-13-32-14-12-28/h2,4-5,7,9-10,15,19H,1,3,6,8,11-14,16-17H2,(H,27,30)/t19-,24+/m0/s1
InChIKeyKNZAYIMRXSNEEC-YADARESESA-N
MW435.53 g/mol
LogP1.98
Rot. Bonds3

About (4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one

(4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one (PubChem CID 92577519) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is (4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name(4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one
PubChem CID92577519
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name(4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one
SMILESO=C1CCCC[C@]2(CN(C(=O)c3ccnc(N4CCOCC4)c3)C[C@H]2c2ccccn2)N1
InChIInChI=1S/C24H29N5O3/c30-22-6-1-3-8-24(27-22)17-29(16-19(24)20-5-2-4-9-25-20)23(31)18-7-10-26-21(15-18)28-11-13-32-14-12-28/h2,4-5,7,9-10,15,19H,1,3,6,8,11-14,16-17H2,(H,27,30)/t19-,24+/m0/s1
InChIKeyKNZAYIMRXSNEEC-YADARESESA-N
XLogP1.98
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one
CID 92566545
(4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one
CID 129453846
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 164694880
[3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 110150409
5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one
CID 154567960
(2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110151084
(2-morpholin-4-yl-4-pyridinyl)-[(4R)-4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
CID 125009206
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
CID 109173959
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
3-(3-fluorophenyl)-9-(2-morpholin-4-ylpyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 110151941
[(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 125016518

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one?
The IUPAC name of (4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one (CID 92577519) is (4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for (4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for (4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one is O=C1CCCC[C@]2(CN(C(=O)c3ccnc(N4CCOCC4)c3)C[C@H]2c2ccccn2)N1.
What is the InChIKey of (4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one?
The InChIKey is KNZAYIMRXSNEEC-YADARESESA-N. The full InChI is InChI=1S/C24H29N5O3/c30-22-6-1-3-8-24(27-22)17-29(16-19(24)20-5-2-4-9-25-20)23(31)18-7-10-26-21(15-18)28-11-13-32-14-12-28/h2,4-5,7,9-10,15,19H,1,3,6,8,11-14,16-17H2,(H,27,30)/t19-,24+/m0/s1.
What are the key properties of (4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one?
(4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one has a molecular weight of 435.53 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-(2-morpholin-4-ylpyridine-4-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 92577519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).