(5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one

C18H22N6O2 — CID 97490391

IUPAC(5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(C(=O)N2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)cn1
InChIInChI=1S/C18H22N6O2/c1-13-8-20-15(10-19-13)16(25)23-6-3-4-18(12-23)5-7-24(17(18)26)14-9-21-22(2)11-14/h8-11H,3-7,12H2,1-2H3/t18-/m0/s1
InChIKeyNAPYNYPTENMWQT-SFHVURJKSA-N
MW354.41 g/mol
LogP1.18
Rot. Bonds2

About (5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one

(5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97490391) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is (5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97490391
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name(5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(C(=O)N2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)cn1
InChIInChI=1S/C18H22N6O2/c1-13-8-20-15(10-19-13)16(25)23-6-3-4-18(12-23)5-7-24(17(18)26)14-9-21-22(2)11-14/h8-11H,3-7,12H2,1-2H3/t18-/m0/s1
InChIKeyNAPYNYPTENMWQT-SFHVURJKSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-9-(1-methylpyrazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490395
7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131642608
2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 133145210
2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131648158
2-(1-methylpyrazol-4-yl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131651201
(6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495317
2-(1-methylpyrazol-4-yl)-7-(oxane-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131660715
(5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97412333
2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131653300
2-(1-methylpyrazol-4-yl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155824750
(5S)-9-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97372070
(5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97395746

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one (CID 97490391) is (5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one is Cc1cnc(C(=O)N2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)cn1.
What is the InChIKey of (5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is NAPYNYPTENMWQT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-13-8-20-15(10-19-13)16(25)23-6-3-4-18(12-23)5-7-24(17(18)26)14-9-21-22(2)11-14/h8-11H,3-7,12H2,1-2H3/t18-/m0/s1.
What are the key properties of (5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
(5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 354.41 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97490391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).