1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine

C35H36FN5O — CID 137087016

IUPAC1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
SMILESCOc1cc(F)cc(C2=CC(C)Cc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)cc32)c1
InChIInChI=1S/C35H36FN5O/c1-21-9-29(25-12-27(36)15-28(13-25)42-2)30-16-34(39-33(30)10-21)35-31-14-24(7-8-32(31)40-41-35)26-11-23(19-38-20-26)18-37-17-22-5-3-4-6-22/h7-9,11-16,19-22,37,39H,3-6,10,17-18H2,1-2H3,(H,40,41)
InChIKeyTYRYJVQPUPTUMR-UHFFFAOYSA-N
MW561.71 g/mol
LogP7.67
Rot. Bonds8

About 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine

1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 137087016) has the molecular formula C35H36FN5O and a molecular weight of 561.71 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
PubChem CID137087016
Molecular FormulaC35H36FN5O
Molecular Weight561.71 g/mol
Exact Mass561.29
IUPAC Name1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
SMILESCOc1cc(F)cc(C2=CC(C)Cc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)cc32)c1
InChIInChI=1S/C35H36FN5O/c1-21-9-29(25-12-27(36)15-28(13-25)42-2)30-16-34(39-33(30)10-21)35-31-14-24(7-8-32(31)40-41-35)26-11-23(19-38-20-26)18-37-17-22-5-3-4-6-22/h7-9,11-16,19-22,37,39H,3-6,10,17-18H2,1-2H3,(H,40,41)
InChIKeyTYRYJVQPUPTUMR-UHFFFAOYSA-N
XLogP7.67
TPSA78.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.71
LogP ≤ 57.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (CID 137087016) is 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is COc1cc(F)cc(C2=CC(C)Cc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)cc45)cc32)c1.
What is the InChIKey of 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
The InChIKey is TYRYJVQPUPTUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36FN5O/c1-21-9-29(25-12-27(36)15-28(13-25)42-2)30-16-34(39-33(30)10-21)35-31-14-24(7-8-32(31)40-41-35)26-11-23(19-38-20-26)18-37-17-22-5-3-4-6-22/h7-9,11-16,19-22,37,39H,3-6,10,17-18H2,1-2H3,(H,40,41).
What are the key properties of 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 561.71 g/mol, XLogP of 7.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 137087016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).