1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one

C30H38N6O3 — CID 139375491

IUPAC1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one
SMILESCn1nccc1-c1ccn(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)c(=O)c1
InChIInChI=1S/C30H38N6O3/c1-33-25(9-14-32-33)24-10-16-34(27(37)19-24)22-30(39)13-17-35(21-29(30)11-5-6-12-29)28(38)36-18-15-31-20-26(36)23-7-3-2-4-8-23/h2-4,7-10,14,16,19,26,31,39H,5-6,11-13,15,17-18,20-22H2,1H3/t26-,30+/m0/s1
InChIKeySGQQPLFDTIKTOV-FREGXXQWSA-N
MW530.67 g/mol
LogP3.01
Rot. Bonds4

About 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one

1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one (PubChem CID 139375491) has the molecular formula C30H38N6O3 and a molecular weight of 530.67 g/mol. Its IUPAC name is 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one
PubChem CID139375491
Molecular FormulaC30H38N6O3
Molecular Weight530.67 g/mol
Exact Mass530.30
IUPAC Name1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one
SMILESCn1nccc1-c1ccn(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)c(=O)c1
InChIInChI=1S/C30H38N6O3/c1-33-25(9-14-32-33)24-10-16-34(27(37)19-24)22-30(39)13-17-35(21-29(30)11-5-6-12-29)28(38)36-18-15-31-20-26(36)23-7-3-2-4-8-23/h2-4,7-10,14,16,19,26,31,39H,5-6,11-13,15,17-18,20-22H2,1H3/t26-,30+/m0/s1
InChIKeySGQQPLFDTIKTOV-FREGXXQWSA-N
XLogP3.01
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.67
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one with MolForge

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Related Compounds

US11807646, Example 183
CID 139370315
US11807646, Example 182
CID 139370435
US11807646, Example 291
CID 139370511
US11807646, Example 205
CID 139375460
US11807646, Example 284
CID 139375488
US11807646, Example 289
CID 139375668
US11807646, Example 224
CID 139375801
US11807646, Example 329
CID 149904760
US11807646, Example 225
CID 153332368
3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-3-yl)pyrimidin-4-one
CID 156788000
3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-one
CID 166627517
US11807646, Example 179
CID 139370465

Frequently Asked Questions

What is the IUPAC name of 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one?
The IUPAC name of 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one (CID 139375491) is 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one.
What is the SMILES notation for 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one?
The canonical SMILES for 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one is Cn1nccc1-c1ccn(C[C@]2(O)CCN(C(=O)N3CCNC[C@H]3c3ccccc3)CC23CCCC3)c(=O)c1.
What is the InChIKey of 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one?
The InChIKey is SGQQPLFDTIKTOV-FREGXXQWSA-N. The full InChI is InChI=1S/C30H38N6O3/c1-33-25(9-14-32-33)24-10-16-34(27(37)19-24)22-30(39)13-17-35(21-29(30)11-5-6-12-29)28(38)36-18-15-31-20-26(36)23-7-3-2-4-8-23/h2-4,7-10,14,16,19,26,31,39H,5-6,11-13,15,17-18,20-22H2,1H3/t26-,30+/m0/s1.
What are the key properties of 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one?
1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one has a molecular weight of 530.67 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-methylpyrazol-3-yl)pyridin-2-one is sourced from PubChem (CID 139375491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).