N-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide

C26H32N6O3 — CID 139375462

IUPACN-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESCn1cc(-c2cc(=O)n(CC3(O)CCN(C(=O)NCc4ccccc4)CC34CCCC4)cn2)cn1
InChIInChI=1S/C26H32N6O3/c1-30-16-21(15-29-30)22-13-23(33)32(19-28-22)18-26(35)11-12-31(17-25(26)9-5-6-10-25)24(34)27-14-20-7-3-2-4-8-20/h2-4,7-8,13,15-16,19,35H,5-6,9-12,14,17-18H2,1H3,(H,27,34)
InChIKeyAIXVXLSWKQOWQM-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.55
Rot. Bonds5

About N-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide

N-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide (PubChem CID 139375462) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide
PubChem CID139375462
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC NameN-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESCn1cc(-c2cc(=O)n(CC3(O)CCN(C(=O)NCc4ccccc4)CC34CCCC4)cn2)cn1
InChIInChI=1S/C26H32N6O3/c1-30-16-21(15-29-30)22-13-23(33)32(19-28-22)18-26(35)11-12-31(17-25(26)9-5-6-10-25)24(34)27-14-20-7-3-2-4-8-20/h2-4,7-8,13,15-16,19,35H,5-6,9-12,14,17-18H2,1H3,(H,27,34)
InChIKeyAIXVXLSWKQOWQM-UHFFFAOYSA-N
XLogP2.55
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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 172
CID 139375463
US11807646, Example 328
CID 139375491
US11807646, Example 289
CID 139375668
US11807646, Example 224
CID 139375801
US11807646, Example 285
CID 146671359
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of N-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide (CID 139375462) is N-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for N-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for N-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide is Cn1cc(-c2cc(=O)n(CC3(O)CCN(C(=O)NCc4ccccc4)CC34CCCC4)cn2)cn1.
What is the InChIKey of N-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is AIXVXLSWKQOWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-30-16-21(15-29-30)22-13-23(33)32(19-28-22)18-26(35)11-12-31(17-25(26)9-5-6-10-25)24(34)27-14-20-7-3-2-4-8-20/h2-4,7-8,13,15-16,19,35H,5-6,9-12,14,17-18H2,1H3,(H,27,34).
What are the key properties of N-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide?
N-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-10-hydroxy-10-[[4-(1-methylpyrazol-4-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 139375462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).