2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole

C30H40F2N4O — CID 134329892

IUPAC2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole
SMILESCCc1c(-c2ccnc(OC(F)F)c2)[nH]c2ccc(C3CCN(C4CCN(CC(C)C)CC4)CC3)cc12
InChIInChI=1S/C30H40F2N4O/c1-4-25-26-17-22(5-6-27(26)34-29(25)23-7-12-33-28(18-23)37-30(31)32)21-8-15-36(16-9-21)24-10-13-35(14-11-24)19-20(2)3/h5-7,12,17-18,20-21,24,30,34H,4,8-11,13-16,19H2,1-3H3
InChIKeyBCQZTFRVRGGHDT-UHFFFAOYSA-N
MW510.67 g/mol
LogP6.69
Rot. Bonds8

About 2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole

2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole (PubChem CID 134329892) has the molecular formula C30H40F2N4O and a molecular weight of 510.67 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole
PubChem CID134329892
Molecular FormulaC30H40F2N4O
Molecular Weight510.67 g/mol
Exact Mass510.32
IUPAC Name2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole
SMILESCCc1c(-c2ccnc(OC(F)F)c2)[nH]c2ccc(C3CCN(C4CCN(CC(C)C)CC4)CC3)cc12
InChIInChI=1S/C30H40F2N4O/c1-4-25-26-17-22(5-6-27(26)34-29(25)23-7-12-33-28(18-23)37-30(31)32)21-8-15-36(16-9-21)24-10-13-35(14-11-24)19-20(2)3/h5-7,12,17-18,20-21,24,30,34H,4,8-11,13-16,19H2,1-3H3
InChIKeyBCQZTFRVRGGHDT-UHFFFAOYSA-N
XLogP6.69
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.67
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole with MolForge

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Related Compounds

Abt-107
CID 11151363
3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(pyridin-4-yl)quinoline
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3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 9865114
(1S,3R)-1-[3-fluoro-5-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]-2-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121410608
(1R,3R)-1-[6-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]-3-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121411115
5-Methoxy-3-(2-piperidin-1-yl-ethyl)-1H-indole
CID 10467710
3-(hexa-1,3-dienyloxy)-9H-pyrido[3,4-b]indole
CID 52945666
1-Cyclohexyl-N-({6-Fluoro-1-[2-(3-Methoxyphenyl)pyridin-4-Yl]-1h-Indol-3-Yl}methyl)methanamine
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3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(pyridin-3-yl)quinoline
CID 10287431
3-[(2S)-2-amino-3-({5-[(E)-2-(2-methoxypyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 23646987
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-2-[2-(6-methoxy-pyridin-3-yl)-ethylamino]-1-methyl-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CID 44321394
8-(6-Methoxy-3-pyridinyl)-3-methyl-1-[4-[3-(trifluoromethyl)piperazin-1-yl]phenyl]imidazo[4,5-c]quinolin-2-one
CID 133053811

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole?
The IUPAC name of 2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole (CID 134329892) is 2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole.
What is the SMILES notation for 2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole?
The canonical SMILES for 2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole is CCc1c(-c2ccnc(OC(F)F)c2)[nH]c2ccc(C3CCN(C4CCN(CC(C)C)CC4)CC3)cc12.
What is the InChIKey of 2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole?
The InChIKey is BCQZTFRVRGGHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F2N4O/c1-4-25-26-17-22(5-6-27(26)34-29(25)23-7-12-33-28(18-23)37-30(31)32)21-8-15-36(16-9-21)24-10-13-35(14-11-24)19-20(2)3/h5-7,12,17-18,20-21,24,30,34H,4,8-11,13-16,19H2,1-3H3.
What are the key properties of 2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole?
2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole has a molecular weight of 510.67 g/mol, XLogP of 6.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-4-pyridinyl]-3-ethyl-5-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-1H-indole is sourced from PubChem (CID 134329892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).