[4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone

C29H30ClFN4O3 — CID 176932345

IUPAC[4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1cccnc1N1CCN(C(=O)c2cc3c(-c4cccc(Cl)c4OC)cc(C(C)C)c(F)c3[nH]2)CC1
InChIInChI=1S/C29H30ClFN4O3/c1-17(2)19-15-20(18-7-5-8-22(30)27(18)38-4)21-16-23(33-26(21)25(19)31)29(36)35-13-11-34(12-14-35)28-24(37-3)9-6-10-32-28/h5-10,15-17,33H,11-14H2,1-4H3
InChIKeyZUFSPHKCYFHYBJ-UHFFFAOYSA-N
MW537.04 g/mol
LogP6.13
Rot. Bonds6

About [4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone

[4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 176932345) has the molecular formula C29H30ClFN4O3 and a molecular weight of 537.04 g/mol. Its IUPAC name is [4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID176932345
Molecular FormulaC29H30ClFN4O3
Molecular Weight537.04 g/mol
Exact Mass536.20
IUPAC Name[4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1cccnc1N1CCN(C(=O)c2cc3c(-c4cccc(Cl)c4OC)cc(C(C)C)c(F)c3[nH]2)CC1
InChIInChI=1S/C29H30ClFN4O3/c1-17(2)19-15-20(18-7-5-8-22(30)27(18)38-4)21-16-23(33-26(21)25(19)31)29(36)35-13-11-34(12-14-35)28-24(37-3)9-6-10-32-28/h5-10,15-17,33H,11-14H2,1-4H3
InChIKeyZUFSPHKCYFHYBJ-UHFFFAOYSA-N
XLogP6.13
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.04
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone 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

[4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone
CID 176933837
[7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 176811382
[7-fluoro-4-(5-fluoro-2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 177170958
[7-fluoro-4-(4-methoxyquinolin-3-yl)-6-methyl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 176934179
[7-fluoro-4-(4-methoxy-3-pyridinyl)-6-propan-2-yl-1H-indol-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 176932128
[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-5-yl)piperazin-1-yl]methanone;molecular hydrogen
CID 177169937
5-[4-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indole-2-carbonyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 176933771
3-[4-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indole-2-carbonyl]piperazin-1-yl]-4-methoxybenzonitrile;molecular hydrogen
CID 177170258
1-[5-[7-fluoro-2-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(5-methoxyquinolin-6-yl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177171105
3-(1,2-dihydrotriazol-3-yl)-1-[5-[7-fluoro-2-[4-(3-fluoro-2-pyridinyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 177171752
[7-fluoro-4-(2-methoxyphenyl)-6-methyl-1H-indol-2-yl]-[4-(6-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]methanone
CID 176932625
1-[5-[7-fluoro-4-(4-methoxy-3-pyridinyl)-2-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 177170992

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone (CID 176932345) is [4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone is COc1cccnc1N1CCN(C(=O)c2cc3c(-c4cccc(Cl)c4OC)cc(C(C)C)c(F)c3[nH]2)CC1.
What is the InChIKey of [4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is ZUFSPHKCYFHYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClFN4O3/c1-17(2)19-15-20(18-7-5-8-22(30)27(18)38-4)21-16-23(33-26(21)25(19)31)29(36)35-13-11-34(12-14-35)28-24(37-3)9-6-10-32-28/h5-10,15-17,33H,11-14H2,1-4H3.
What are the key properties of [4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
[4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 537.04 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-2-methoxyphenyl)-7-fluoro-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 176932345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).