N-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

C28H25N5O — CID 123398180

IUPACN-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1cccc(-c2c(C(=O)N(Cc3cccnc3)C3CC3)[nH]c3cc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C28H25N5O/c1-18-4-2-6-21(12-18)26-24-10-7-20(22-15-30-31-16-22)13-25(24)32-27(26)28(34)33(23-8-9-23)17-19-5-3-11-29-14-19/h2-7,10-16,23,32H,8-9,17H2,1H3,(H,30,31)
InChIKeyCUSLVNUPCJTZTM-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.73
Rot. Bonds6

About N-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

N-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 123398180) has the molecular formula C28H25N5O and a molecular weight of 447.54 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
PubChem CID123398180
Molecular FormulaC28H25N5O
Molecular Weight447.54 g/mol
Exact Mass447.21
IUPAC NameN-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1cccc(-c2c(C(=O)N(Cc3cccnc3)C3CC3)[nH]c3cc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C28H25N5O/c1-18-4-2-6-21(12-18)26-24-10-7-20(22-15-30-31-16-22)13-25(24)32-27(26)28(34)33(23-8-9-23)17-19-5-3-11-29-14-19/h2-7,10-16,23,32H,8-9,17H2,1H3,(H,30,31)
InChIKeyCUSLVNUPCJTZTM-UHFFFAOYSA-N
XLogP5.73
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 119064910
N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 68948207
N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 122564926
N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 112795169
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 67107127
3-[cyclopropyl-[(3-pyridin-3-ylphenyl)methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122066362
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 68942481
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 67107128
N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 113204984
4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497568

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide (CID 123398180) is N-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide is Cc1cccc(-c2c(C(=O)N(Cc3cccnc3)C3CC3)[nH]c3cc(-c4cn[nH]c4)ccc23)c1.
What is the InChIKey of N-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is CUSLVNUPCJTZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O/c1-18-4-2-6-21(12-18)26-24-10-7-20(22-15-30-31-16-22)13-25(24)32-27(26)28(34)33(23-8-9-23)17-19-5-3-11-29-14-19/h2-7,10-16,23,32H,8-9,17H2,1H3,(H,30,31).
What are the key properties of N-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
N-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 123398180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).