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

C25H32F2N8O — CID 170577708

IUPACN-[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
SMILESCCN1CCC12CCN(c1nn(-c3cc(C(C)C)nc(C(C)(F)F)n3)c3cc(NC(C)=O)ncc13)C2
InChIInChI=1S/C25H32F2N8O/c1-6-34-10-8-25(34)7-9-33(14-25)22-17-13-28-20(29-16(4)36)12-19(17)35(32-22)21-11-18(15(2)3)30-23(31-21)24(5,26)27/h11-13,15H,6-10,14H2,1-5H3,(H,28,29,36)
InChIKeyQONOVOISKLYBFA-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.08
Rot. Bonds6

About 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

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 (PubChem CID 170577708) has the molecular formula C25H32F2N8O and a molecular weight of 498.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170577708
Molecular FormulaC25H32F2N8O
Molecular Weight498.58 g/mol
Exact Mass498.27
IUPAC NameN-[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
SMILESCCN1CCC12CCN(c1nn(-c3cc(C(C)C)nc(C(C)(F)F)n3)c3cc(NC(C)=O)ncc13)C2
InChIInChI=1S/C25H32F2N8O/c1-6-34-10-8-25(34)7-9-33(14-25)22-17-13-28-20(29-16(4)36)12-19(17)35(32-22)21-11-18(15(2)3)30-23(31-21)24(5,26)27/h11-13,15H,6-10,14H2,1-5H3,(H,28,29,36)
InChIKeyQONOVOISKLYBFA-UHFFFAOYSA-N
XLogP4.08
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.08
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-propan-2-ylpyrimidin-4-yl]-3-(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCC12CCN(c1nn(-c3cc(C(C)C)nc(C(C)(F)F)n3)c3cc(NC(C)=O)ncc13)C2.
What is the InChIKey of 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?
The InChIKey is QONOVOISKLYBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N8O/c1-6-34-10-8-25(34)7-9-33(14-25)22-17-13-28-20(29-16(4)36)12-19(17)35(32-22)21-11-18(15(2)3)30-23(31-21)24(5,26)27/h11-13,15H,6-10,14H2,1-5H3,(H,28,29,36).
What are the key properties of 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?
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 has a molecular weight of 498.58 g/mol, XLogP of 4.08, 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-propan-2-ylpyrimidin-4-yl]-3-(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).