(4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C19H23N5O2 — CID 97469870

IUPAC(4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cncc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)c1
InChIInChI=1S/C19H23N5O2/c1-13-7-14(10-20-9-13)18(26)24-5-3-19(4-6-24)16(8-17(25)22-19)15-11-21-23(2)12-15/h7,9-12,16H,3-6,8H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyVFFPTNZSLBQJJM-INIZCTEOSA-N
MW353.43 g/mol
LogP1.40
Rot. Bonds2

About (4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

(4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469870) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97469870
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cncc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)c1
InChIInChI=1S/C19H23N5O2/c1-13-7-14(10-20-9-13)18(26)24-5-3-19(4-6-24)16(8-17(25)22-19)15-11-21-23(2)12-15/h7,9-12,16H,3-6,8H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyVFFPTNZSLBQJJM-INIZCTEOSA-N
XLogP1.40
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155825983
(4S)-8-(5-methyl-1,2-oxazole-3-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469866
4-(1-methylpyrazol-4-yl)-8-(pyridine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155829009
(4S)-4-(1-methylpyrazol-4-yl)-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391794
(4R)-8-(5-methylfuran-2-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97384121
4-(1-methylpyrazol-4-yl)-8-(6-methylpyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131643239
4-(1-methylpyrazol-4-yl)-8-(1-methylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131640370
4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131660171
8-(4-methylbenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070711
8-(6-methylpyridine-3-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070712
4-(1-methylpyrazol-4-yl)-8-(2-pyridin-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118743353
4-(1-methylpyrazol-4-yl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131650251

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97469870) is (4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is Cc1cncc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)c1.
What is the InChIKey of (4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VFFPTNZSLBQJJM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-7-14(10-20-9-13)18(26)24-5-3-19(4-6-24)16(8-17(25)22-19)15-11-21-23(2)12-15/h7,9-12,16H,3-6,8H2,1-2H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
(4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-methylpyrazol-4-yl)-8-(5-methylpyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).