2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine

C27H22F2N8S — CID 135287079

IUPAC2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
SMILESCc1ccsc1-c1cncc2[nH]c(-n3ncc4nc(-c5cncc(CN6CCC(F)(F)C6)c5)ccc43)nc12
InChIInChI=1S/C27H22F2N8S/c1-16-4-7-38-25(16)19-11-31-12-22-24(19)35-26(34-22)37-23-3-2-20(33-21(23)13-32-37)18-8-17(9-30-10-18)14-36-6-5-27(28,29)15-36/h2-4,7-13H,5-6,14-15H2,1H3,(H,34,35)
InChIKeyIGUFIJHEHKBTON-UHFFFAOYSA-N
MW528.59 g/mol
LogP5.63
Rot. Bonds5

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 135287079) has the molecular formula C27H22F2N8S and a molecular weight of 528.59 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
PubChem CID135287079
Molecular FormulaC27H22F2N8S
Molecular Weight528.59 g/mol
Exact Mass528.17
IUPAC Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
SMILESCc1ccsc1-c1cncc2[nH]c(-n3ncc4nc(-c5cncc(CN6CCC(F)(F)C6)c5)ccc43)nc12
InChIInChI=1S/C27H22F2N8S/c1-16-4-7-38-25(16)19-11-31-12-22-24(19)35-26(34-22)37-23-3-2-20(33-21(23)13-32-37)18-8-17(9-30-10-18)14-36-6-5-27(28,29)15-36/h2-4,7-13H,5-6,14-15H2,1H3,(H,34,35)
InChIKeyIGUFIJHEHKBTON-UHFFFAOYSA-N
XLogP5.63
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.59
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine (CID 135287079) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine is Cc1ccsc1-c1cncc2[nH]c(-n3ncc4nc(-c5cncc(CN6CCC(F)(F)C6)c5)ccc43)nc12.
What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is IGUFIJHEHKBTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N8S/c1-16-4-7-38-25(16)19-11-31-12-22-24(19)35-26(34-22)37-23-3-2-20(33-21(23)13-32-37)18-8-17(9-30-10-18)14-36-6-5-27(28,29)15-36/h2-4,7-13H,5-6,14-15H2,1H3,(H,34,35).
What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine?
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 528.59 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]-7-(3-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 135287079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).