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

C25H21F2N7 — CID 137040512

IUPAC2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine
SMILESFC1(F)CCN(Cc2cncc(-c3cc(-c4cc5c(-c6cccnc6)nccc5[nH]4)[nH]n3)c2)C1
InChIInChI=1S/C25H21F2N7/c26-25(27)4-7-34(15-25)14-16-8-18(13-29-11-16)21-10-23(33-32-21)22-9-19-20(31-22)3-6-30-24(19)17-2-1-5-28-12-17/h1-3,5-6,8-13,31H,4,7,14-15H2,(H,32,33)
InChIKeyUTPZKZYTUPYTHX-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.92
Rot. Bonds5

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

2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 137040512) has the molecular formula C25H21F2N7 and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine
PubChem CID137040512
Molecular FormulaC25H21F2N7
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC Name2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine
SMILESFC1(F)CCN(Cc2cncc(-c3cc(-c4cc5c(-c6cccnc6)nccc5[nH]4)[nH]n3)c2)C1
InChIInChI=1S/C25H21F2N7/c26-25(27)4-7-34(15-25)14-16-8-18(13-29-11-16)21-10-23(33-32-21)22-9-19-20(31-22)3-6-30-24(19)17-2-1-5-28-12-17/h1-3,5-6,8-13,31H,4,7,14-15H2,(H,32,33)
InChIKeyUTPZKZYTUPYTHX-UHFFFAOYSA-N
XLogP4.92
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine
CID 136943495
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine
CID 137019440
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 138603998
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137114350
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 137133950
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137113856
N-[[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137313141
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137114699
1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137102752
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 138603701
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 137135204
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137311624

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-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine (CID 137040512) is 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine is FC1(F)CCN(Cc2cncc(-c3cc(-c4cc5c(-c6cccnc6)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-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is UTPZKZYTUPYTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N7/c26-25(27)4-7-34(15-25)14-16-8-18(13-29-11-16)21-10-23(33-32-21)22-9-19-20(31-22)3-6-30-24(19)17-2-1-5-28-12-17/h1-3,5-6,8-13,31H,4,7,14-15H2,(H,32,33).
What are the key properties of 2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine?
2-[3-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 457.49 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 137040512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).