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

C30H23F3N6 — CID 145252679

IUPAC2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
SMILESFc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)cc23)cc1
InChIInChI=1S/C30H23F3N6/c31-22-4-1-19(2-5-22)25-14-35-15-28-23(25)11-27(36-28)29-24-10-20(3-6-26(24)37-38-29)21-9-18(12-34-13-21)16-39-8-7-30(32,33)17-39/h1-6,9-15,36H,7-8,16-17H2,(H,37,38)
InChIKeyCMALIIMKDYTFES-UHFFFAOYSA-N
MW524.55 g/mol
LogP6.82
Rot. Bonds5

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

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 145252679) has the molecular formula C30H23F3N6 and a molecular weight of 524.55 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
PubChem CID145252679
Molecular FormulaC30H23F3N6
Molecular Weight524.55 g/mol
Exact Mass524.19
IUPAC Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
SMILESFc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)cc23)cc1
InChIInChI=1S/C30H23F3N6/c31-22-4-1-19(2-5-22)25-14-35-15-28-23(25)11-27(36-28)29-24-10-20(3-6-26(24)37-38-29)21-9-18(12-34-13-21)16-39-8-7-30(32,33)17-39/h1-6,9-15,36H,7-8,16-17H2,(H,37,38)
InChIKeyCMALIIMKDYTFES-UHFFFAOYSA-N
XLogP6.82
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.55
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine
CID 137087719
3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole
CID 145252541
3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol
CID 137310693
3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
CID 137116962
3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115531
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137040606
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
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 137087011
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
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137115486
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137112374
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137112718

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine (CID 145252679) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine is Fc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)cc23)cc1.
What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is CMALIIMKDYTFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N6/c31-22-4-1-19(2-5-22)25-14-35-15-28-23(25)11-27(36-28)29-24-10-20(3-6-26(24)37-38-29)21-9-18(12-34-13-21)16-39-8-7-30(32,33)17-39/h1-6,9-15,36H,7-8,16-17H2,(H,37,38).
What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 524.55 g/mol, XLogP of 6.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 145252679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).