3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole

C39H42FN7 — CID 145252359

IUPAC3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole
SMILESFc1cc(CCCN2CCCC2)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CCCN7CCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C39H42FN7/c40-32-21-27(7-5-17-46-13-1-2-14-46)19-30(22-32)38-34-24-37(43-35(34)11-12-42-38)39-33-23-29(9-10-36(33)44-45-39)31-20-28(25-41-26-31)8-6-18-47-15-3-4-16-47/h9-12,19-26,43H,1-8,13-18H2,(H,44,45)
InChIKeyRNHBLVLYIZLCTE-UHFFFAOYSA-N
MW627.81 g/mol
LogP8.03
Rot. Bonds11

About 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole

3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole (PubChem CID 145252359) has the molecular formula C39H42FN7 and a molecular weight of 627.81 g/mol. Its IUPAC name is 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole
PubChem CID145252359
Molecular FormulaC39H42FN7
Molecular Weight627.81 g/mol
Exact Mass627.35
IUPAC Name3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole
SMILESFc1cc(CCCN2CCCC2)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CCCN7CCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C39H42FN7/c40-32-21-27(7-5-17-46-13-1-2-14-46)19-30(22-32)38-34-24-37(43-35(34)11-12-42-38)39-33-23-29(9-10-36(33)44-45-39)31-20-28(25-41-26-31)8-6-18-47-15-3-4-16-47/h9-12,19-26,43H,1-8,13-18H2,(H,44,45)
InChIKeyRNHBLVLYIZLCTE-UHFFFAOYSA-N
XLogP8.03
TPSA76.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.81
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(3-{5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl}-1H-indazol-6-yl)-1H-1,2,3-triazol-4-yl]methanamine
CID 135438541
4-({2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559059
4-({2-[6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559060
4-({2-[6-(1H-pyrazol-5-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559061
4-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-1,2-thiazole
CID 135559062
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
6-Phenyl-3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazole
CID 135559068
N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
CID 142509033
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
N-[(2S)-2-amino-3-phenylpropyl]-5-(3-methyl-1H-indazol-5-yl)pyridin-3-amine
CID 23647013
6-(5-methyl-1H-1,2,3-triazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
CID 135559065

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole?
The IUPAC name of 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole (CID 145252359) is 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole.
What is the SMILES notation for 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole?
The canonical SMILES for 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole is Fc1cc(CCCN2CCCC2)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CCCN7CCCC7)c6)cc45)cc23)c1.
What is the InChIKey of 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole?
The InChIKey is RNHBLVLYIZLCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42FN7/c40-32-21-27(7-5-17-46-13-1-2-14-46)19-30(22-32)38-34-24-37(43-35(34)11-12-42-38)39-33-23-29(9-10-36(33)44-45-39)31-20-28(25-41-26-31)8-6-18-47-15-3-4-16-47/h9-12,19-26,43H,1-8,13-18H2,(H,44,45).
What are the key properties of 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole?
3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole has a molecular weight of 627.81 g/mol, XLogP of 8.03, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 145252359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).