N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide

C20H24F2N8O — CID 170576876

IUPACN-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(cn1)c(N1CCN(C)C1)nn2-c1cc(C)nc(C(C)(F)F)n1
InChIInChI=1S/C20H24F2N8O/c1-5-17(31)25-15-9-14-13(10-23-15)18(29-7-6-28(4)11-29)27-30(14)16-8-12(2)24-19(26-16)20(3,21)22/h8-10H,5-7,11H2,1-4H3,(H,23,25,31)
InChIKeyPFDJWTWJIPYBKW-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.69
Rot. Bonds5

About N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide

N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide (PubChem CID 170576876) has the molecular formula C20H24F2N8O and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide
PubChem CID170576876
Molecular FormulaC20H24F2N8O
Molecular Weight430.46 g/mol
Exact Mass430.20
IUPAC NameN-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(cn1)c(N1CCN(C)C1)nn2-c1cc(C)nc(C(C)(F)F)n1
InChIInChI=1S/C20H24F2N8O/c1-5-17(31)25-15-9-14-13(10-23-15)18(29-7-6-28(4)11-29)27-30(14)16-8-12(2)24-19(26-16)20(3,21)22/h8-10H,5-7,11H2,1-4H3,(H,23,25,31)
InChIKeyPFDJWTWJIPYBKW-UHFFFAOYSA-N
XLogP2.69
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 177282300
methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate
CID 170577523
benzyl N-[1-[6-acetamido-1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 175955973
N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577384
N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577917
N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577262
N-[1-[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577010
acetaldehyde;1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methoxy-3-methylpyrrolidin-1-yl)-N-methylpyrazolo[4,3-c]pyridin-6-amine
CID 170577247
N-[1-[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]-3-(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577708
methyl N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]carbamate
CID 170425088
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170576964
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577622

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide?
The IUPAC name of N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide (CID 170576876) is N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide.
What is the SMILES notation for N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide?
The canonical SMILES for N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide is CCC(=O)Nc1cc2c(cn1)c(N1CCN(C)C1)nn2-c1cc(C)nc(C(C)(F)F)n1.
What is the InChIKey of N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide?
The InChIKey is PFDJWTWJIPYBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N8O/c1-5-17(31)25-15-9-14-13(10-23-15)18(29-7-6-28(4)11-29)27-30(14)16-8-12(2)24-19(26-16)20(3,21)22/h8-10H,5-7,11H2,1-4H3,(H,23,25,31).
What are the key properties of N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide?
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide has a molecular weight of 430.46 g/mol, XLogP of 2.69, 5 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)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide is sourced from PubChem (CID 170576876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).