[5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone

C21H17N5O — CID 134155961

IUPAC[5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESCc1cc2cc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)ccc2[nH]1
InChIInChI=1S/C21H17N5O/c1-12-8-14-9-15(6-7-18(14)24-12)26-21(22)16(11-23-26)20(27)19-10-13-4-2-3-5-17(13)25-19/h2-11,24-25H,22H2,1H3
InChIKeyQIASHDRGDBMNGW-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.96
Rot. Bonds3

About [5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone

[5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (PubChem CID 134155961) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
PubChem CID134155961
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name[5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESCc1cc2cc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)ccc2[nH]1
InChIInChI=1S/C21H17N5O/c1-12-8-14-9-15(6-7-18(14)24-12)26-21(22)16(11-23-26)20(27)19-10-13-4-2-3-5-17(13)25-19/h2-11,24-25H,22H2,1H3
InChIKeyQIASHDRGDBMNGW-UHFFFAOYSA-N
XLogP3.96
TPSA92.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66555680
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[5-amino-1-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-bromo-1H-indol-2-yl)methanone
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[5-amino-1-(2-methyl-1H-benzimidazol-5-yl)-1H-pyrazol-4-yl]-(6-morpholin-4-ylmethyl-1H-indol-2-yl)-methanone
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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(6-phenyl-1H-indol-2-yl)methanone
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[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(4,4-difluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone
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[5-amino-1-(1H-benzimidazol-6-yl)-1H-pyrazol-4-yl]-1H-indol-2-ylMethanone
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[5-amino-1-(1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
CID 134146580
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(3-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]methanone
CID 66554717
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1H-indol-2-yl]methanone
CID 68005943
5-[5-amino-4-(1H-indole-2-carbonyl)pyrazol-1-yl]-1,3-dihydrobenzimidazol-2-one
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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (CID 134155961) is [5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone is Cc1cc2cc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)ccc2[nH]1.
What is the InChIKey of [5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The InChIKey is QIASHDRGDBMNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-12-8-14-9-15(6-7-18(14)24-12)26-21(22)16(11-23-26)20(27)19-10-13-4-2-3-5-17(13)25-19/h2-11,24-25H,22H2,1H3.
What are the key properties of [5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
[5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone has a molecular weight of 355.40 g/mol, XLogP of 3.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-methyl-1H-indol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 134155961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).