N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine

C34H30FN5 — CID 137088659

IUPACN-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
SMILESC=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)c3c2)c1)C1CCCCC1
InChIInChI=1S/C34H30FN5/c1-21(22-7-3-2-4-8-22)37-27-16-25(19-36-20-27)23-13-14-32-30(17-23)34(40-39-32)33-18-29-28(11-6-12-31(29)38-33)24-9-5-10-26(35)15-24/h5-6,9-20,22,37-38H,1-4,7-8H2,(H,39,40)
InChIKeyHJTHWVBZRNCNOQ-UHFFFAOYSA-N
MW527.65 g/mol
LogP9.09
Rot. Bonds6

About N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine

N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137088659) has the molecular formula C34H30FN5 and a molecular weight of 527.65 g/mol. Its IUPAC name is N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
PubChem CID137088659
Molecular FormulaC34H30FN5
Molecular Weight527.65 g/mol
Exact Mass527.25
IUPAC NameN-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
SMILESC=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)c3c2)c1)C1CCCCC1
InChIInChI=1S/C34H30FN5/c1-21(22-7-3-2-4-8-22)37-27-16-25(19-36-20-27)23-13-14-32-30(17-23)34(40-39-32)33-18-29-28(11-6-12-31(29)38-33)24-9-5-10-26(35)15-24/h5-6,9-20,22,37-38H,1-4,7-8H2,(H,39,40)
InChIKeyHJTHWVBZRNCNOQ-UHFFFAOYSA-N
XLogP9.09
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 59.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopentylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145248245
N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137088660
N-(1-cyclopentylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137088538
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137308433
N-(1-cyclobutylethenyl)-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 145249874
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
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137312871
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137115272
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 137088527
N-(1-cyclopropylethenyl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145252863
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
2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137103287

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 137088659) is N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccc(F)c6)cccc5[nH]4)c3c2)c1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is HJTHWVBZRNCNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30FN5/c1-21(22-7-3-2-4-8-22)37-27-16-25(19-36-20-27)23-13-14-32-30(17-23)34(40-39-32)33-18-29-28(11-6-12-31(29)38-33)24-9-5-10-26(35)15-24/h5-6,9-20,22,37-38H,1-4,7-8H2,(H,39,40).
What are the key properties of N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 527.65 g/mol, XLogP of 9.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137088659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).