N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

C32H27FN6 — CID 137087237

IUPACN-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
SMILESC=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3c2)c1)C1CCCC1
InChIInChI=1S/C32H27FN6/c1-19(20-6-2-3-7-20)36-23-14-22(17-34-18-23)21-10-11-29-27(15-21)31(39-38-29)30-16-26-24(12-13-35-32(26)37-30)25-8-4-5-9-28(25)33/h4-5,8-18,20,36H,1-3,6-7H2,(H,35,37)(H,38,39)
InChIKeyUINTUSFTMCFJMW-UHFFFAOYSA-N
MW514.61 g/mol
LogP8.09
Rot. Bonds6

About N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137087237) has the molecular formula C32H27FN6 and a molecular weight of 514.61 g/mol. Its IUPAC name is N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
PubChem CID137087237
Molecular FormulaC32H27FN6
Molecular Weight514.61 g/mol
Exact Mass514.23
IUPAC NameN-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
SMILESC=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3c2)c1)C1CCCC1
InChIInChI=1S/C32H27FN6/c1-19(20-6-2-3-7-20)36-23-14-22(17-34-18-23)21-10-11-29-27(15-21)31(39-38-29)30-16-26-24(12-13-35-32(26)37-30)25-8-4-5-9-28(25)33/h4-5,8-18,20,36H,1-3,6-7H2,(H,35,37)(H,38,39)
InChIKeyUINTUSFTMCFJMW-UHFFFAOYSA-N
XLogP8.09
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.61
LogP ≤ 58.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine with MolForge

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Related Compounds

N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137088660
N-(4,4-dimethylpent-1-en-2-yl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145254135
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137111874
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137488821
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137111482
N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137088659
N-(1-cyclopentylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145248245
N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137112134
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137112075
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137313064
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole
CID 145254195
N-(3-cyclohexylprop-1-en-2-yl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145252844

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 137087237) is N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3c2)c1)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is UINTUSFTMCFJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN6/c1-19(20-6-2-3-7-20)36-23-14-22(17-34-18-23)21-10-11-29-27(15-21)31(39-38-29)30-16-26-24(12-13-35-32(26)37-30)25-8-4-5-9-28(25)33/h4-5,8-18,20,36H,1-3,6-7H2,(H,35,37)(H,38,39).
What are the key properties of N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 514.61 g/mol, XLogP of 8.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137087237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).