4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

C29H23F2N7 — CID 136935579

IUPAC4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1ccccc1-c1nccc2[nH]c(-c3[nH]nc4c(F)cc(-c5cncc(CN6CCCC6)c5)cc34)nc12
InChIInChI=1S/C29H23F2N7/c30-22-6-2-1-5-20(22)26-28-24(7-8-33-26)34-29(35-28)27-21-12-18(13-23(31)25(21)36-37-27)19-11-17(14-32-15-19)16-38-9-3-4-10-38/h1-2,5-8,11-15H,3-4,9-10,16H2,(H,34,35)(H,36,37)
InChIKeyIHFYJQCUIMAGSD-UHFFFAOYSA-N
MW507.55 g/mol
LogP6.10
Rot. Bonds5

About 4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136935579) has the molecular formula C29H23F2N7 and a molecular weight of 507.55 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136935579
Molecular FormulaC29H23F2N7
Molecular Weight507.55 g/mol
Exact Mass507.20
IUPAC Name4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1ccccc1-c1nccc2[nH]c(-c3[nH]nc4c(F)cc(-c5cncc(CN6CCCC6)c5)cc34)nc12
InChIInChI=1S/C29H23F2N7/c30-22-6-2-1-5-20(22)26-28-24(7-8-33-26)34-29(35-28)27-21-12-18(13-23(31)25(21)36-37-27)19-11-17(14-32-15-19)16-38-9-3-4-10-38/h1-2,5-8,11-15H,3-4,9-10,16H2,(H,34,35)(H,36,37)
InChIKeyIHFYJQCUIMAGSD-UHFFFAOYSA-N
XLogP6.10
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.55
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136935553
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
CID 136935593
4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 136945147
5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 136935571
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
CID 136944834
2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 137134521
3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137102967
2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine
CID 137134419
4-(4-fluorophenyl)-2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136935966
2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
CID 137019479
N-[[5-[7-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136935675
4-(4-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136935968

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136935579) is 4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is Fc1ccccc1-c1nccc2[nH]c(-c3[nH]nc4c(F)cc(-c5cncc(CN6CCCC6)c5)cc34)nc12.
What is the InChIKey of 4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is IHFYJQCUIMAGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N7/c30-22-6-2-1-5-20(22)26-28-24(7-8-33-26)34-29(35-28)27-21-12-18(13-23(31)25(21)36-37-27)19-11-17(14-32-15-19)16-38-9-3-4-10-38/h1-2,5-8,11-15H,3-4,9-10,16H2,(H,34,35)(H,36,37).
What are the key properties of 4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 507.55 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136935579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).