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

C30H26F2N4O2 — CID 59762396

IUPACN-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3ccccn3)cc2n1Cc1ccccn1
InChIInChI=1S/C30H26F2N4O2/c1-19(2)29-28(30(37)35-17-20-9-12-24(31)25(32)15-20)23-11-10-22(38-27-8-4-6-14-34-27)16-26(23)36(29)18-21-7-3-5-13-33-21/h3-16,19H,17-18H2,1-2H3,(H,35,37)
InChIKeyDVDVTMHNBDQCSS-UHFFFAOYSA-N
MW512.56 g/mol
LogP6.60
Rot. Bonds8

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

N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide (PubChem CID 59762396) has the molecular formula C30H26F2N4O2 and a molecular weight of 512.56 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide
PubChem CID59762396
Molecular FormulaC30H26F2N4O2
Molecular Weight512.56 g/mol
Exact Mass512.20
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3ccccn3)cc2n1Cc1ccccn1
InChIInChI=1S/C30H26F2N4O2/c1-19(2)29-28(30(37)35-17-20-9-12-24(31)25(32)15-20)23-11-10-22(38-27-8-4-6-14-34-27)16-26(23)36(29)18-21-7-3-5-13-33-21/h3-16,19H,17-18H2,1-2H3,(H,35,37)
InChIKeyDVDVTMHNBDQCSS-UHFFFAOYSA-N
XLogP6.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.56
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide (CID 59762396) is N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3ccccn3)cc2n1Cc1ccccn1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide?
The InChIKey is DVDVTMHNBDQCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N4O2/c1-19(2)29-28(30(37)35-17-20-9-12-24(31)25(32)15-20)23-11-10-22(38-27-8-4-6-14-34-27)16-26(23)36(29)18-21-7-3-5-13-33-21/h3-16,19H,17-18H2,1-2H3,(H,35,37).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide has a molecular weight of 512.56 g/mol, XLogP of 6.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide is sourced from PubChem (CID 59762396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).