7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

C17H18ClN5O2 — CID 131690695

IUPAC7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1cc(N2CC3(CCN(C(=O)c4cccc(Cl)n4)C3)CC2=O)cn1
InChIInChI=1S/C17H18ClN5O2/c1-21-9-12(8-19-21)23-11-17(7-15(23)24)5-6-22(10-17)16(25)13-3-2-4-14(18)20-13/h2-4,8-9H,5-7,10-11H2,1H3
InChIKeyQMNFNDZDKDLNTH-UHFFFAOYSA-N
MW359.82 g/mol
LogP1.74
Rot. Bonds2

About 7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131690695) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131690695
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1cc(N2CC3(CCN(C(=O)c4cccc(Cl)n4)C3)CC2=O)cn1
InChIInChI=1S/C17H18ClN5O2/c1-21-9-12(8-19-21)23-11-17(7-15(23)24)5-6-22(10-17)16(25)13-3-2-4-14(18)20-13/h2-4,8-9H,5-7,10-11H2,1H3
InChIKeyQMNFNDZDKDLNTH-UHFFFAOYSA-N
XLogP1.74
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97399123
9-(6-chloropyridine-2-carbonyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131696796
7-(pyridine-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131653472
7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131640237
(5S)-2-(4-methylphenyl)-7-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97398955
(5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97374147
(5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97398981
(5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 97374104
6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131642956
4-(1-methylpyrazol-4-yl)-9-(pyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451125
7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131649039
(5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 131689971

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131690695) is 7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cn1cc(N2CC3(CCN(C(=O)c4cccc(Cl)n4)C3)CC2=O)cn1.
What is the InChIKey of 7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is QMNFNDZDKDLNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-21-9-12(8-19-21)23-11-17(7-15(23)24)5-6-22(10-17)16(25)13-3-2-4-14(18)20-13/h2-4,8-9H,5-7,10-11H2,1H3.
What are the key properties of 7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 359.82 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131690695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).