N,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide

C26H31N7O2 — CID 170238303

IUPACN,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)c2ncc(N3CC4(CCC(C)(c5ccccc5)CC4)NC3=O)cn2)n(C)n1
InChIInChI=1S/C26H31N7O2/c1-18-14-21(32(4)30-18)22(34)31(3)23-27-15-20(16-28-23)33-17-26(29-24(33)35)12-10-25(2,11-13-26)19-8-6-5-7-9-19/h5-9,14-16H,10-13,17H2,1-4H3,(H,29,35)
InChIKeyKBJHNESQNXGFLN-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.60
Rot. Bonds4

About N,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide

N,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide (PubChem CID 170238303) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide
PubChem CID170238303
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC NameN,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)c2ncc(N3CC4(CCC(C)(c5ccccc5)CC4)NC3=O)cn2)n(C)n1
InChIInChI=1S/C26H31N7O2/c1-18-14-21(32(4)30-18)22(34)31(3)23-27-15-20(16-28-23)33-17-26(29-24(33)35)12-10-25(2,11-13-26)19-8-6-5-7-9-19/h5-9,14-16H,10-13,17H2,1-4H3,(H,29,35)
InChIKeyKBJHNESQNXGFLN-UHFFFAOYSA-N
XLogP3.60
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide (CID 170238303) is N,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)c2ncc(N3CC4(CCC(C)(c5ccccc5)CC4)NC3=O)cn2)n(C)n1.
What is the InChIKey of N,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide?
The InChIKey is KBJHNESQNXGFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-18-14-21(32(4)30-18)22(34)31(3)23-27-15-20(16-28-23)33-17-26(29-24(33)35)12-10-25(2,11-13-26)19-8-6-5-7-9-19/h5-9,14-16H,10-13,17H2,1-4H3,(H,29,35).
What are the key properties of N,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide?
N,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[5-(8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)pyrimidin-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 170238303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).