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

C34H31FN6 — CID 145252844

IUPACN-(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
SMILESC=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C34H31FN6/c1-21(13-22-7-3-2-4-8-22)38-25-14-24(17-36-18-25)23-11-12-31-28(15-23)34(41-40-31)32-16-27-29(19-37-20-33(27)39-32)26-9-5-6-10-30(26)35/h5-6,9-12,14-20,22,38-39H,1-4,7-8,13H2,(H,40,41)
InChIKeyIDDWVJPQABCRAR-UHFFFAOYSA-N
MW542.66 g/mol
LogP8.87
Rot. Bonds7

About 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

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 (PubChem CID 145252844) has the molecular formula C34H31FN6 and a molecular weight of 542.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID145252844
Molecular FormulaC34H31FN6
Molecular Weight542.66 g/mol
Exact Mass542.26
IUPAC NameN-(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
SMILESC=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C34H31FN6/c1-21(13-22-7-3-2-4-8-22)38-25-14-24(17-36-18-25)23-11-12-31-28(15-23)34(41-40-31)32-16-27-29(19-37-20-33(27)39-32)26-9-5-6-10-30(26)35/h5-6,9-12,14-20,22,38-39H,1-4,7-8,13H2,(H,40,41)
InChIKeyIDDWVJPQABCRAR-UHFFFAOYSA-N
XLogP8.87
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.66
LogP ≤ 58.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 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 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-(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-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145252560
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137311339
N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137088659
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[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137313064
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137112172
N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137038184
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137313246
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-cyclopentylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145248245

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 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?
The InChIKey is IDDWVJPQABCRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31FN6/c1-21(13-22-7-3-2-4-8-22)38-25-14-24(17-36-18-25)23-11-12-31-28(15-23)34(41-40-31)32-16-27-29(19-37-20-33(27)39-32)26-9-5-6-10-30(26)35/h5-6,9-12,14-20,22,38-39H,1-4,7-8,13H2,(H,40,41).
What are the key properties of 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?
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 has a molecular weight of 542.66 g/mol, XLogP of 8.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145252844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).