N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

C21H24F2N8O — CID 170577292

IUPACN-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(N1CC3(CCCN3C)C1)nn2-c1ccnc(C(C)(F)F)n1
InChIInChI=1S/C21H24F2N8O/c1-13(32)26-16-9-15-14(10-25-16)18(30-11-21(12-30)6-4-8-29(21)3)28-31(15)17-5-7-24-19(27-17)20(2,22)23/h5,7,9-10H,4,6,8,11-12H2,1-3H3,(H,25,26,32)
InChIKeyMDRDJBZPWDLANO-UHFFFAOYSA-N
MW442.47 g/mol
LogP2.57
Rot. Bonds4

About N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577292) has the molecular formula C21H24F2N8O and a molecular weight of 442.47 g/mol. Its IUPAC name is N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577292
Molecular FormulaC21H24F2N8O
Molecular Weight442.47 g/mol
Exact Mass442.20
IUPAC NameN-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(N1CC3(CCCN3C)C1)nn2-c1ccnc(C(C)(F)F)n1
InChIInChI=1S/C21H24F2N8O/c1-13(32)26-16-9-15-14(10-25-16)18(30-11-21(12-30)6-4-8-29(21)3)28-31(15)17-5-7-24-19(27-17)20(2,22)23/h5,7,9-10H,4,6,8,11-12H2,1-3H3,(H,25,26,32)
InChIKeyMDRDJBZPWDLANO-UHFFFAOYSA-N
XLogP2.57
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577292) is N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(N1CC3(CCCN3C)C1)nn2-c1ccnc(C(C)(F)F)n1.
What is the InChIKey of N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is MDRDJBZPWDLANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N8O/c1-13(32)26-16-9-15-14(10-25-16)18(30-11-21(12-30)6-4-8-29(21)3)28-31(15)17-5-7-24-19(27-17)20(2,22)23/h5,7,9-10H,4,6,8,11-12H2,1-3H3,(H,25,26,32).
What are the key properties of N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 442.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).