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

C29H30ClFN4O3 — CID 176933837

IUPAC[4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone
SMILESCOc1ccccc1-c1cc(C(C)C)c(F)c2[nH]c(C(=O)N3CCN(c4nccc(Cl)c4OC)CC3)cc12
InChIInChI=1S/C29H30ClFN4O3/c1-17(2)19-15-20(18-7-5-6-8-24(18)37-3)21-16-23(33-26(21)25(19)31)29(36)35-13-11-34(12-14-35)28-27(38-4)22(30)9-10-32-28/h5-10,15-17,33H,11-14H2,1-4H3
InChIKeyDKECKEQBUZOVDV-UHFFFAOYSA-N
MW537.04 g/mol
LogP6.13
Rot. Bonds6

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

[4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone (PubChem CID 176933837) has the molecular formula C29H30ClFN4O3 and a molecular weight of 537.04 g/mol. Its IUPAC name is [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone
PubChem CID176933837
Molecular FormulaC29H30ClFN4O3
Molecular Weight537.04 g/mol
Exact Mass536.20
IUPAC Name[4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone
SMILESCOc1ccccc1-c1cc(C(C)C)c(F)c2[nH]c(C(=O)N3CCN(c4nccc(Cl)c4OC)CC3)cc12
InChIInChI=1S/C29H30ClFN4O3/c1-17(2)19-15-20(18-7-5-6-8-24(18)37-3)21-16-23(33-26(21)25(19)31)29(36)35-13-11-34(12-14-35)28-27(38-4)22(30)9-10-32-28/h5-10,15-17,33H,11-14H2,1-4H3
InChIKeyDKECKEQBUZOVDV-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-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone with MolForge

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Related Compounds

(5-chloro-1H-indol-2-yl)-[4-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]piperazin-1-yl]methanone
CID 57390224
(5-chloro-1H-indol-2-yl)-[4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethyl]piperazin-1-yl]methanone
CID 57397301
[4-[3-(ethylamino)-2-pyridyl]piperazin-1-yl]-(5-methoxy-4,6,7-trimethyl-1H-indol-2-yl)methanone
CID 455380
[4-(3-benzyloxy-2-pyridyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 468311
tert-butyl 6-[6-chloro-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-4-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 176811153
1-[5-[4-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 176811159
tert-butyl 5-[5-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-7-(2-methoxyphenyl)-1H-indol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 176811173
1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 176811178
(6-chloro-7-fluoro-4-pyrrolidin-3-yl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 176811203
tert-butyl 4-[6-chloro-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-4-yl]piperidine-1-carboxylate
CID 176811220
(6-chloro-7-fluoro-4-propyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 176811236
(6-chloro-7-fluoro-4-hexyl-1H-indol-2-yl)-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 176811240

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone?
The IUPAC name of [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) is [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone.
What is the SMILES notation for [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone?
The canonical SMILES for [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone is COc1ccccc1-c1cc(C(C)C)c(F)c2[nH]c(C(=O)N3CCN(c4nccc(Cl)c4OC)CC3)cc12.
What is the InChIKey of [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone?
The InChIKey is DKECKEQBUZOVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClFN4O3/c1-17(2)19-15-20(18-7-5-6-8-24(18)37-3)21-16-23(33-26(21)25(19)31)29(36)35-13-11-34(12-14-35)28-27(38-4)22(30)9-10-32-28/h5-10,15-17,33H,11-14H2,1-4H3.
What are the key properties of [4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone?
[4-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-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-(4-chloro-3-methoxy-2-pyridinyl)piperazin-1-yl]-[7-fluoro-4-(2-methoxyphenyl)-6-propan-2-yl-1H-indol-2-yl]methanone is sourced from PubChem (CID 176933837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).