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

C24H30F2N8O — CID 170577262

IUPACN-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCCc1cc(-n2nc(N3CCC(N4CCCC4)C3)c3cnc(NC(C)=O)cc32)nc(C(C)(F)F)n1
InChIInChI=1S/C24H30F2N8O/c1-4-16-11-21(30-23(29-16)24(3,25)26)34-19-12-20(28-15(2)35)27-13-18(19)22(31-34)33-10-7-17(14-33)32-8-5-6-9-32/h11-13,17H,4-10,14H2,1-3H3,(H,27,28,35)
InChIKeyJZVKYENNQGSUHG-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.52
Rot. Bonds6

About 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

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 (PubChem CID 170577262) has the molecular formula C24H30F2N8O and a molecular weight of 484.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577262
Molecular FormulaC24H30F2N8O
Molecular Weight484.56 g/mol
Exact Mass484.25
IUPAC NameN-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCCc1cc(-n2nc(N3CCC(N4CCCC4)C3)c3cnc(NC(C)=O)cc32)nc(C(C)(F)F)n1
InChIInChI=1S/C24H30F2N8O/c1-4-16-11-21(30-23(29-16)24(3,25)26)34-19-12-20(28-15(2)35)27-13-18(19)22(31-34)33-10-7-17(14-33)32-8-5-6-9-32/h11-13,17H,4-10,14H2,1-3H3,(H,27,28,35)
InChIKeyJZVKYENNQGSUHG-UHFFFAOYSA-N
XLogP3.52
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(-n2nc(N3CCC(N4CCCC4)C3)c3cnc(NC(C)=O)cc32)nc(C(C)(F)F)n1.
What is the InChIKey of 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?
The InChIKey is JZVKYENNQGSUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N8O/c1-4-16-11-21(30-23(29-16)24(3,25)26)34-19-12-20(28-15(2)35)27-13-18(19)22(31-34)33-10-7-17(14-33)32-8-5-6-9-32/h11-13,17H,4-10,14H2,1-3H3,(H,27,28,35).
What are the key properties of 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?
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 has a molecular weight of 484.56 g/mol, XLogP of 3.52, 6 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-ethylpyrimidin-4-yl]-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).