4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide

C18H23N7O — CID 72841424

IUPAC4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
SMILESCn1ccnc1CN1CCN(C(=O)Nc2ccc3cnn(C)c3c2)CC1
InChIInChI=1S/C18H23N7O/c1-22-6-5-19-17(22)13-24-7-9-25(10-8-24)18(26)21-15-4-3-14-12-20-23(2)16(14)11-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,26)
InChIKeyHIWQUDYPTVDSDV-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.66
Rot. Bonds3

About 4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide

4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide (PubChem CID 72841424) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
PubChem CID72841424
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
SMILESCn1ccnc1CN1CCN(C(=O)Nc2ccc3cnn(C)c3c2)CC1
InChIInChI=1S/C18H23N7O/c1-22-6-5-19-17(22)13-24-7-9-25(10-8-24)18(26)21-15-4-3-14-12-20-23(2)16(14)11-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,26)
InChIKeyHIWQUDYPTVDSDV-UHFFFAOYSA-N
XLogP1.66
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide (CID 72841424) is 4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide is Cn1ccnc1CN1CCN(C(=O)Nc2ccc3cnn(C)c3c2)CC1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide?
The InChIKey is HIWQUDYPTVDSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-22-6-5-19-17(22)13-24-7-9-25(10-8-24)18(26)21-15-4-3-14-12-20-23(2)16(14)11-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,26).
What are the key properties of 4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide?
4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 72841424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).