5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide

C27H25FN4O2 — CID 83289572

IUPAC5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc2cc(NC(=O)C3CC3)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C27H25FN4O2/c28-21-5-3-4-18(14-21)17-32-24-10-9-23(31-26(33)19-7-8-19)15-20(24)16-25(32)27(34)30-13-11-22-6-1-2-12-29-22/h1-6,9-10,12,14-16,19H,7-8,11,13,17H2,(H,30,34)(H,31,33)
InChIKeyGGQUPRRQZZOYKZ-UHFFFAOYSA-N
MW456.52 g/mol
LogP4.54
Rot. Bonds8

About 5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide

5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide (PubChem CID 83289572) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
PubChem CID83289572
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC Name5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc2cc(NC(=O)C3CC3)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C27H25FN4O2/c28-21-5-3-4-18(14-21)17-32-24-10-9-23(31-26(33)19-7-8-19)15-20(24)16-25(32)27(34)30-13-11-22-6-1-2-12-29-22/h1-6,9-10,12,14-16,19H,7-8,11,13,17H2,(H,30,34)(H,31,33)
InChIKeyGGQUPRRQZZOYKZ-UHFFFAOYSA-N
XLogP4.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 42808893
1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83278269
1-ethyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83273760
1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83287290
5-(furan-2-carbonylamino)-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83273417
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431515
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431524
N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 57431491
5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 91634972
4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-(2-pyridin-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide
CID 46005389
5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 42808773
4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039425

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide (CID 83289572) is 5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide is O=C(NCCc1ccccn1)c1cc2cc(NC(=O)C3CC3)ccc2n1Cc1cccc(F)c1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
The InChIKey is GGQUPRRQZZOYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c28-21-5-3-4-18(14-21)17-32-24-10-9-23(31-26(33)19-7-8-19)15-20(24)16-25(32)27(34)30-13-11-22-6-1-2-12-29-22/h1-6,9-10,12,14-16,19H,7-8,11,13,17H2,(H,30,34)(H,31,33).
What are the key properties of 5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 83289572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).