N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

C22H26F2N8O — CID 177282297

IUPACN-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(N1CC[C@H](N3CCCC3)C1)nn2-c1cncc(C(C)(F)F)n1
InChIInChI=1S/C22H26F2N8O/c1-14(33)27-19-9-17-16(10-26-19)21(31-8-5-15(13-31)30-6-3-4-7-30)29-32(17)20-12-25-11-18(28-20)22(2,23)24/h9-12,15H,3-8,13H2,1-2H3,(H,26,27,33)/t15-/m0/s1
InChIKeyKJDDZMAGVUGYPE-HNNXBMFYSA-N
MW456.50 g/mol
LogP2.96
Rot. Bonds5

About N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 177282297) has the molecular formula C22H26F2N8O and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID177282297
Molecular FormulaC22H26F2N8O
Molecular Weight456.50 g/mol
Exact Mass456.22
IUPAC NameN-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(N1CC[C@H](N3CCCC3)C1)nn2-c1cncc(C(C)(F)F)n1
InChIInChI=1S/C22H26F2N8O/c1-14(33)27-19-9-17-16(10-26-19)21(31-8-5-15(13-31)30-6-3-4-7-30)29-32(17)20-12-25-11-18(28-20)22(2,23)24/h9-12,15H,3-8,13H2,1-2H3,(H,26,27,33)/t15-/m0/s1
InChIKeyKJDDZMAGVUGYPE-HNNXBMFYSA-N
XLogP2.96
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-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-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 177282297) is N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(N1CC[C@H](N3CCCC3)C1)nn2-c1cncc(C(C)(F)F)n1.
What is the InChIKey of N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is KJDDZMAGVUGYPE-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26F2N8O/c1-14(33)27-19-9-17-16(10-26-19)21(31-8-5-15(13-31)30-6-3-4-7-30)29-32(17)20-12-25-11-18(28-20)22(2,23)24/h9-12,15H,3-8,13H2,1-2H3,(H,26,27,33)/t15-/m0/s1.
What are the key properties of N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 456.50 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 177282297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).