4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide

C23H29F2N7O — CID 162616513

IUPAC4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(C)nc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C23H29F2N7O/c1-15-13-18(30-21(27-15)32-11-7-23(24,25)8-12-32)29-20(33)17-14-26-16(2)28-19(17)31-9-5-22(3-4-22)6-10-31/h13-14H,3-12H2,1-2H3,(H,27,29,30,33)
InChIKeyHRPRTWIBHWHMBU-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.75
Rot. Bonds4

About 4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide

4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide (PubChem CID 162616513) has the molecular formula C23H29F2N7O and a molecular weight of 457.53 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide
PubChem CID162616513
Molecular FormulaC23H29F2N7O
Molecular Weight457.53 g/mol
Exact Mass457.24
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(C)nc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C23H29F2N7O/c1-15-13-18(30-21(27-15)32-11-7-23(24,25)8-12-32)29-20(33)17-14-26-16(2)28-19(17)31-9-5-22(3-4-22)6-10-31/h13-14H,3-12H2,1-2H3,(H,27,29,30,33)
InChIKeyHRPRTWIBHWHMBU-UHFFFAOYSA-N
XLogP3.75
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
CID 153624900
4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethylsulfonylamino)pyrimidine-5-carboxamide
CID 153624917
3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide
CID 153054995
5-amino-3-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide
CID 153624939
4-(6-azaspiro[2.5]octan-6-yl)-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide
CID 153624946
4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethylsulfanylamino)pyrimidine-5-carboxamide
CID 154959661
(2-Tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 162748642
N-[3-[4-[4-amino-6-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]-3-oxopropyl]-1-[(E)-4-(dimethylamino)but-2-enoyl]piperidine-4-carboxamide
CID 171749394
N-[3-[4-[4-amino-6-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-1,3,5-triazin-2-yl]piperazin-1-yl]-3-oxopropyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 171749419
2,4-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrimidine-5-carboxamide
CID 177296640
4-methyl-2-(4-methyl-1-piperazinyl)-N-[4-(trifluoromethyl)-2-pyrimidinyl]-5-pyrimidinecarboxamide
CID 157017481
N-{[4-fluoro-1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl}-2,6-dimethylpyrimidin-4-amine
CID 171326509

Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide (CID 162616513) is 4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cnc(C)nc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is HRPRTWIBHWHMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N7O/c1-15-13-18(30-21(27-15)32-11-7-23(24,25)8-12-32)29-20(33)17-14-26-16(2)28-19(17)31-9-5-22(3-4-22)6-10-31/h13-14H,3-12H2,1-2H3,(H,27,29,30,33).
What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide?
4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 162616513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).