N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide

C16H17N5O — CID 46988594

IUPACN-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide
SMILESO=C(Cn1ccnc1)Nc1nn(CC2CC2)c2ccccc12
InChIInChI=1S/C16H17N5O/c22-15(10-20-8-7-17-11-20)18-16-13-3-1-2-4-14(13)21(19-16)9-12-5-6-12/h1-4,7-8,11-12H,5-6,9-10H2,(H,18,19,22)
InChIKeyPIKXCGPVXGKGDO-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.28
Rot. Bonds5

About N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide

N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide (PubChem CID 46988594) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide
PubChem CID46988594
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide
SMILESO=C(Cn1ccnc1)Nc1nn(CC2CC2)c2ccccc12
InChIInChI=1S/C16H17N5O/c22-15(10-20-8-7-17-11-20)18-16-13-3-1-2-4-14(13)21(19-16)9-12-5-6-12/h1-4,7-8,11-12H,5-6,9-10H2,(H,18,19,22)
InChIKeyPIKXCGPVXGKGDO-UHFFFAOYSA-N
XLogP2.28
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclopropylmethyl)indazol-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 31258923
N-[1-(cyclopropylmethyl)indazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 155916035
N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2-[3-(5-methylfuran-2-yl)indazol-1-yl]acetamide
CID 30957679
2-imidazol-1-yl-N-(4-quinolin-4-yloxyphenyl)acetamide
CID 71984235
2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119838755
N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493777
2-imidazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17491802
N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493771
1-(cyclopropylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
CID 167312295
2-[[4-(imidazol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 70051606
1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
CID 55178208
2-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)-N-(1-methylindazol-3-yl)acetamide
CID 46983889

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide (CID 46988594) is N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide is O=C(Cn1ccnc1)Nc1nn(CC2CC2)c2ccccc12.
What is the InChIKey of N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide?
The InChIKey is PIKXCGPVXGKGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c22-15(10-20-8-7-17-11-20)18-16-13-3-1-2-4-14(13)21(19-16)9-12-5-6-12/h1-4,7-8,11-12H,5-6,9-10H2,(H,18,19,22).
What are the key properties of N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide?
N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide has a molecular weight of 295.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 46988594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).