2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine

C23H19F2N7O — CID 136938408

IUPAC2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESFC1(F)CCN(Cc2cncc(-c3cc(-c4nc5c(-c6ccoc6)nccc5[nH]4)[nH]n3)c2)C1
InChIInChI=1S/C23H19F2N7O/c24-23(25)3-5-32(13-23)11-14-7-16(10-26-9-14)18-8-19(31-30-18)22-28-17-1-4-27-20(21(17)29-22)15-2-6-33-12-15/h1-2,4,6-10,12H,3,5,11,13H2,(H,28,29)(H,30,31)
InChIKeyNEIPQDIFJAYCSV-UHFFFAOYSA-N
MW447.45 g/mol
LogP4.51
Rot. Bonds5

About 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine

2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136938408) has the molecular formula C23H19F2N7O and a molecular weight of 447.45 g/mol. Its IUPAC name is 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID136938408
Molecular FormulaC23H19F2N7O
Molecular Weight447.45 g/mol
Exact Mass447.16
IUPAC Name2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESFC1(F)CCN(Cc2cncc(-c3cc(-c4nc5c(-c6ccoc6)nccc5[nH]4)[nH]n3)c2)C1
InChIInChI=1S/C23H19F2N7O/c24-23(25)3-5-32(13-23)11-14-7-16(10-26-9-14)18-8-19(31-30-18)22-28-17-1-4-27-20(21(17)29-22)15-2-6-33-12-15/h1-2,4,6-10,12H,3,5,11,13H2,(H,28,29)(H,30,31)
InChIKeyNEIPQDIFJAYCSV-UHFFFAOYSA-N
XLogP4.51
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine (CID 136938408) is 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine is FC1(F)CCN(Cc2cncc(-c3cc(-c4nc5c(-c6ccoc6)nccc5[nH]4)[nH]n3)c2)C1.
What is the InChIKey of 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is NEIPQDIFJAYCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N7O/c24-23(25)3-5-32(13-23)11-14-7-16(10-26-9-14)18-8-19(31-30-18)22-28-17-1-4-27-20(21(17)29-22)15-2-6-33-12-15/h1-2,4,6-10,12H,3,5,11,13H2,(H,28,29)(H,30,31).
What are the key properties of 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 447.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136938408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).