N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide

C25H23F2N3O2 — CID 59762294

IUPACN-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1cccnc1
InChIInChI=1S/C25H23F2N3O2/c1-15(2)24-23(25(32)29-13-16-5-8-20(26)21(27)10-16)19-7-6-18(31)11-22(19)30(24)14-17-4-3-9-28-12-17/h3-12,15,31H,13-14H2,1-2H3,(H,29,32)
InChIKeyQMEPGIMQOWGECY-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.12
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide (PubChem CID 59762294) has the molecular formula C25H23F2N3O2 and a molecular weight of 435.47 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide
PubChem CID59762294
Molecular FormulaC25H23F2N3O2
Molecular Weight435.47 g/mol
Exact Mass435.18
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1cccnc1
InChIInChI=1S/C25H23F2N3O2/c1-15(2)24-23(25(32)29-13-16-5-8-20(26)21(27)10-16)19-7-6-18(31)11-22(19)30(24)14-17-4-3-9-28-12-17/h3-12,15,31H,13-14H2,1-2H3,(H,29,32)
InChIKeyQMEPGIMQOWGECY-UHFFFAOYSA-N
XLogP5.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327725
1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-6-ol
CID 11559474
1-[2-(morpholin-4-yl)ethyl]-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-6-ol
CID 11696383
Pyrrolopyridine, 19
CID 135556294
(2R)-2-amino-6-[[2-(6-hydroxy-1H-indol-3-yl)-2-oxoacetyl]amino]hexanoic acid
CID 71450757
2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone
CID 56835060
1-benzyl-N-(3,4-difluorobenzyl)-6-ethoxy-2-isopropyl-1H-indole-3-carboxamide
CID 25059487
1-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-propoxy-1H-indole-3-carboxamide
CID 25059488
1-Benzyl-N-(3,4-difluorobenzyl)-6-isopropoxy-2-isopropyl-1H-indole-3-carboxamide
CID 25059745
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57392014
[3-(2-Dimethylamino-ethyl)-5-hydroxy-1H-indol-1-yl]phenylmethanone
CID 9796627
[4-(4-fluorobenzyl)piperidine-1-yl]-(6-hydroxy-1H-indole-2-yl)-methanone
CID 9903141

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide (CID 59762294) is N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1cccnc1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide?
The InChIKey is QMEPGIMQOWGECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O2/c1-15(2)24-23(25(32)29-13-16-5-8-20(26)21(27)10-16)19-7-6-18(31)11-22(19)30(24)14-17-4-3-9-28-12-17/h3-12,15,31H,13-14H2,1-2H3,(H,29,32).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 59762294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).