5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine

C30H23F3N6 — CID 137114350

IUPAC5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine
SMILESC1CN(CC1(F)F)CC2=CC(=CN=C2)C3=NC4=C(C=C3)NN=C4C5=CC6=C(C=CC=C6N5)C7=CC(=CC=C7)F
InChIInChI=1S/C30H23F3N6/c31-21-4-1-3-19(12-21)22-5-2-6-25-23(22)13-27(35-25)29-28-26(37-38-29)8-7-24(36-28)20-11-18(14-34-15-20)16-39-10-9-30(32,33)17-39/h1-8,11-15,35H,9-10,16-17H2,(H,37,38)
InChIKeyLKAUKOVUNFZEBX-UHFFFAOYSA-N
MW524.50 g/mol
LogP5.40
Rot. Bonds5

About 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137114350) has the molecular formula C30H23F3N6 and a molecular weight of 524.50 g/mol. Its IUPAC name is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine
PubChem CID137114350
Molecular FormulaC30H23F3N6
Molecular Weight524.50 g/mol
Exact Mass524.19
IUPAC Name5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine
SMILESC1CN(CC1(F)F)CC2=CC(=CN=C2)C3=NC4=C(C=C3)NN=C4C5=CC6=C(C=CC=C6N5)C7=CC(=CC=C7)F
InChIInChI=1S/C30H23F3N6/c31-21-4-1-3-19(12-21)22-5-2-6-25-23(22)13-27(35-25)29-28-26(37-38-29)8-7-24(36-28)20-11-18(14-34-15-20)16-39-10-9-30(32,33)17-39/h1-8,11-15,35H,9-10,16-17H2,(H,37,38)
InChIKeyLKAUKOVUNFZEBX-UHFFFAOYSA-N
XLogP5.40
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity848

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.50
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine (CID 137114350) is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine is C1CN(CC1(F)F)CC2=CC(=CN=C2)C3=NC4=C(C=C3)NN=C4C5=CC6=C(C=CC=C6N5)C7=CC(=CC=C7)F.
What is the InChIKey of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is LKAUKOVUNFZEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N6/c31-21-4-1-3-19(12-21)22-5-2-6-25-23(22)13-27(35-25)29-28-26(37-38-29)8-7-24(36-28)20-11-18(14-34-15-20)16-39-10-9-30(32,33)17-39/h1-8,11-15,35H,9-10,16-17H2,(H,37,38).
What are the key properties of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine?
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 524.50 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137114350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).