5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide

C25H21FN4O — CID 69130889

IUPAC5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide
SMILESCn1ccc2cc(NC(=O)c3cc4cc(N)ccc4n3Cc3cccc(F)c3)ccc21
InChIInChI=1S/C25H21FN4O/c1-29-10-9-17-13-21(6-8-22(17)29)28-25(31)24-14-18-12-20(27)5-7-23(18)30(24)15-16-3-2-4-19(26)11-16/h2-14H,15,27H2,1H3,(H,28,31)
InChIKeyPYYQIDRCCNDUHF-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.15
Rot. Bonds4

About 5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide

5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide (PubChem CID 69130889) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is 5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide
PubChem CID69130889
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC Name5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide
SMILESCn1ccc2cc(NC(=O)c3cc4cc(N)ccc4n3Cc3cccc(F)c3)ccc21
InChIInChI=1S/C25H21FN4O/c1-29-10-9-17-13-21(6-8-22(17)29)28-25(31)24-14-18-12-20(27)5-7-23(18)30(24)15-16-3-2-4-19(26)11-16/h2-14H,15,27H2,1H3,(H,28,31)
InChIKeyPYYQIDRCCNDUHF-UHFFFAOYSA-N
XLogP5.15
TPSA64.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide
CID 69130872
5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 91634972
1-[(3-fluorophenyl)methyl]-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-c]pyridine-2-carboxamide
CID 66845803
5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 42808752
5-amino-1-[(4-tert-butylphenyl)methyl]-N-phenylindole-2-carboxamide
CID 42808855
5-fluoro-N-(1-methylindol-5-yl)-1-pyridin-3-ylindole-2-carboxamide
CID 25060607
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431515
N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 57431491
1-[(3-fluorophenyl)methyl]-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 66845888
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431524
5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide
CID 66846526
5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 57431513

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide?
The IUPAC name of 5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide (CID 69130889) is 5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide.
What is the SMILES notation for 5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide?
The canonical SMILES for 5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide is Cn1ccc2cc(NC(=O)c3cc4cc(N)ccc4n3Cc3cccc(F)c3)ccc21.
What is the InChIKey of 5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide?
The InChIKey is PYYQIDRCCNDUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/c1-29-10-9-17-13-21(6-8-22(17)29)28-25(31)24-14-18-12-20(27)5-7-23(18)30(24)15-16-3-2-4-19(26)11-16/h2-14H,15,27H2,1H3,(H,28,31).
What are the key properties of 5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide?
5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide is sourced from PubChem (CID 69130889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).