7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide

C32H35N7O2 — CID 71457834

IUPAC7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3cc(C(=O)N(C)CCc4ccccn4)[nH]c23)cc1
InChIInChI=1S/C32H35N7O2/c1-21-12-14-24(15-13-21)39-28(20-27(37-39)32(2,3)4)36-31(41)35-25-11-8-9-22-19-26(34-29(22)25)30(40)38(5)18-16-23-10-6-7-17-33-23/h6-15,17,19-20,34H,16,18H2,1-5H3,(H2,35,36,41)
InChIKeyAASJEUHBEWXQIG-UHFFFAOYSA-N
MW549.68 g/mol
LogP6.31
Rot. Bonds7

About 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide

7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide (PubChem CID 71457834) has the molecular formula C32H35N7O2 and a molecular weight of 549.68 g/mol. Its IUPAC name is 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide
PubChem CID71457834
Molecular FormulaC32H35N7O2
Molecular Weight549.68 g/mol
Exact Mass549.29
IUPAC Name7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3cc(C(=O)N(C)CCc4ccccn4)[nH]c23)cc1
InChIInChI=1S/C32H35N7O2/c1-21-12-14-24(15-13-21)39-28(20-27(37-39)32(2,3)4)36-31(41)35-25-11-8-9-22-19-26(34-29(22)25)30(40)38(5)18-16-23-10-6-7-17-33-23/h6-15,17,19-20,34H,16,18H2,1-5H3,(H2,35,36,41)
InChIKeyAASJEUHBEWXQIG-UHFFFAOYSA-N
XLogP6.31
TPSA107.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.68
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide with MolForge

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Related Compounds

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CID 52934180
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CID 70678492
(13R)-N-[1-[(4-aminophenyl)methyl]pyrazol-4-yl]-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide (CID 71457834) is 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3cc(C(=O)N(C)CCc4ccccn4)[nH]c23)cc1.
What is the InChIKey of 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
The InChIKey is AASJEUHBEWXQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N7O2/c1-21-12-14-24(15-13-21)39-28(20-27(37-39)32(2,3)4)36-31(41)35-25-11-8-9-22-19-26(34-29(22)25)30(40)38(5)18-16-23-10-6-7-17-33-23/h6-15,17,19-20,34H,16,18H2,1-5H3,(H2,35,36,41).
What are the key properties of 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 549.68 g/mol, XLogP of 6.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 71457834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).