[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone

C25H24N6O2 — CID 158528853

IUPAC[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)C4=Cc5c(cccc5N5CCOCC5)C4)c3N)cc2[nH]1
InChIInChI=1S/C25H24N6O2/c1-15-28-21-6-5-18(13-22(21)29-15)31-25(26)20(14-27-31)24(32)17-11-16-3-2-4-23(19(16)12-17)30-7-9-33-10-8-30/h2-6,12-14H,7-11,26H2,1H3,(H,28,29)
InChIKeyHNCRAVLWDFXHJP-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.30
Rot. Bonds4

About [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone (PubChem CID 158528853) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone
PubChem CID158528853
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone
SMILESCc1nc2ccc(-n3ncc(C(=O)C4=Cc5c(cccc5N5CCOCC5)C4)c3N)cc2[nH]1
InChIInChI=1S/C25H24N6O2/c1-15-28-21-6-5-18(13-22(21)29-15)31-25(26)20(14-27-31)24(32)17-11-16-3-2-4-23(19(16)12-17)30-7-9-33-10-8-30/h2-6,12-14H,7-11,26H2,1H3,(H,28,29)
InChIKeyHNCRAVLWDFXHJP-UHFFFAOYSA-N
XLogP3.30
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone (CID 158528853) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone is Cc1nc2ccc(-n3ncc(C(=O)C4=Cc5c(cccc5N5CCOCC5)C4)c3N)cc2[nH]1.
What is the InChIKey of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone?
The InChIKey is HNCRAVLWDFXHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-15-28-21-6-5-18(13-22(21)29-15)31-25(26)20(14-27-31)24(32)17-11-16-3-2-4-23(19(16)12-17)30-7-9-33-10-8-30/h2-6,12-14H,7-11,26H2,1H3,(H,28,29).
What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone?
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone has a molecular weight of 440.51 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone is sourced from PubChem (CID 158528853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).