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

C29H27F2N5O — CID 59762320

IUPACN-[(3,4-difluorophenyl)methyl]-6-(2-methylpyrazol-3-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3ccnn3C)cc2n1Cc1ccccn1
InChIInChI=1S/C29H27F2N5O/c1-18(2)28-27(29(37)33-16-19-7-10-23(30)24(31)14-19)22-9-8-20(25-11-13-34-35(25)3)15-26(22)36(28)17-21-6-4-5-12-32-21/h4-15,18H,16-17H2,1-3H3,(H,33,37)
InChIKeyCPQAVLZEZOUWJY-UHFFFAOYSA-N
MW499.57 g/mol
LogP5.82
Rot. Bonds7

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

N-[(3,4-difluorophenyl)methyl]-6-(2-methylpyrazol-3-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide (PubChem CID 59762320) has the molecular formula C29H27F2N5O and a molecular weight of 499.57 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-(2-methylpyrazol-3-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-(2-methylpyrazol-3-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide
PubChem CID59762320
Molecular FormulaC29H27F2N5O
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-(2-methylpyrazol-3-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3ccnn3C)cc2n1Cc1ccccn1
InChIInChI=1S/C29H27F2N5O/c1-18(2)28-27(29(37)33-16-19-7-10-23(30)24(31)14-19)22-9-8-20(25-11-13-34-35(25)3)15-26(22)36(28)17-21-6-4-5-12-32-21/h4-15,18H,16-17H2,1-3H3,(H,33,37)
InChIKeyCPQAVLZEZOUWJY-UHFFFAOYSA-N
XLogP5.82
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 55.82
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]-6-(2-methylpyrazol-3-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-(2-methylpyrazol-3-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide (CID 59762320) is N-[(3,4-difluorophenyl)methyl]-6-(2-methylpyrazol-3-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-(2-methylpyrazol-3-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-(2-methylpyrazol-3-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3ccnn3C)cc2n1Cc1ccccn1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-(2-methylpyrazol-3-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide?
The InChIKey is CPQAVLZEZOUWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N5O/c1-18(2)28-27(29(37)33-16-19-7-10-23(30)24(31)14-19)22-9-8-20(25-11-13-34-35(25)3)15-26(22)36(28)17-21-6-4-5-12-32-21/h4-15,18H,16-17H2,1-3H3,(H,33,37).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-(2-methylpyrazol-3-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-6-(2-methylpyrazol-3-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 5.82, 7 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]-6-(2-methylpyrazol-3-yl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 59762320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).