2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one

C21H23N5O2 — CID 153109635

IUPAC2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1ccnc(N2CCC3(CCN(CC4=CCc5ncccc54)C3=O)C2)n1
InChIInChI=1S/C21H23N5O2/c1-28-18-6-10-23-20(24-18)26-12-8-21(14-26)7-11-25(19(21)27)13-15-4-5-17-16(15)3-2-9-22-17/h2-4,6,9-10H,5,7-8,11-14H2,1H3
InChIKeyVSRDEAOWJDBPPU-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.95
Rot. Bonds4

About 2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one

2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 153109635) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID153109635
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1ccnc(N2CCC3(CCN(CC4=CCc5ncccc54)C3=O)C2)n1
InChIInChI=1S/C21H23N5O2/c1-28-18-6-10-23-20(24-18)26-12-8-21(14-26)7-11-25(19(21)27)13-15-4-5-17-16(15)3-2-9-22-17/h2-4,6,9-10H,5,7-8,11-14H2,1H3
InChIKeyVSRDEAOWJDBPPU-UHFFFAOYSA-N
XLogP1.95
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97130596
2-(3H-inden-1-ylmethyl)-8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 159535522
2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 158852546
(5R)-2-[(3-methoxyphenyl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451671
7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 140585780
2-(1H-indol-3-ylmethyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 67979915
(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490113
(5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97118355
2-(1H-indol-3-ylmethyl)-7-(4-methoxy-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 67979892
2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119058655
(5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451677
2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine
CID 82994740

Frequently Asked Questions

What is the IUPAC name of 2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one (CID 153109635) is 2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one is COc1ccnc(N2CCC3(CCN(CC4=CCc5ncccc54)C3=O)C2)n1.
What is the InChIKey of 2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is VSRDEAOWJDBPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-28-18-6-10-23-20(24-18)26-12-8-21(14-26)7-11-25(19(21)27)13-15-4-5-17-16(15)3-2-9-22-17/h2-4,6,9-10H,5,7-8,11-14H2,1H3.
What are the key properties of 2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 377.45 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-cyclopenta[b]pyridin-5-ylmethyl)-7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 153109635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).