2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine

C26H20F2N8S — CID 137054966

IUPAC2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
SMILESFC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7cccs7)nccc6[nH]5)c4c3)c2)C1
InChIInChI=1S/C26H20F2N8S/c27-26(28)4-6-36(14-26)13-15-8-16(11-29-10-15)17-9-18-21(34-35-24(18)31-12-17)25-32-19-3-5-30-23(22(19)33-25)20-2-1-7-37-20/h1-3,5,7-12H,4,6,13-14H2,(H,32,33)(H,31,34,35)
InChIKeyAMRKKGFWWBMZNM-UHFFFAOYSA-N
MW514.57 g/mol
LogP5.53
Rot. Bonds5

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 137054966) has the molecular formula C26H20F2N8S and a molecular weight of 514.57 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
PubChem CID137054966
Molecular FormulaC26H20F2N8S
Molecular Weight514.57 g/mol
Exact Mass514.15
IUPAC Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
SMILESFC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7cccs7)nccc6[nH]5)c4c3)c2)C1
InChIInChI=1S/C26H20F2N8S/c27-26(28)4-6-36(14-26)13-15-8-16(11-29-10-15)17-9-18-21(34-35-24(18)31-12-17)25-32-19-3-5-30-23(22(19)33-25)20-2-1-7-37-20/h1-3,5,7-12H,4,6,13-14H2,(H,32,33)(H,31,34,35)
InChIKeyAMRKKGFWWBMZNM-UHFFFAOYSA-N
XLogP5.53
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.57
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine 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 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine (CID 137054966) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine is FC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7cccs7)nccc6[nH]5)c4c3)c2)C1.
What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine?
The InChIKey is AMRKKGFWWBMZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N8S/c27-26(28)4-6-36(14-26)13-15-8-16(11-29-10-15)17-9-18-21(34-35-24(18)31-12-17)25-32-19-3-5-30-23(22(19)33-25)20-2-1-7-37-20/h1-3,5,7-12H,4,6,13-14H2,(H,32,33)(H,31,34,35).
What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine?
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 514.57 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137054966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).