N-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C17H23N7O — CID 50974403

IUPACN-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC(Cn2ccnc2)C(C)C)nc2ncnn12
InChIInChI=1S/C17H23N7O/c1-11(2)14(8-23-6-5-18-10-23)21-16(25)13-7-15(12(3)4)24-17(22-13)19-9-20-24/h5-7,9-12,14H,8H2,1-4H3,(H,21,25)
InChIKeyXIOKFQIAWWMMDL-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.90
Rot. Bonds6

About N-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

N-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 50974403) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID50974403
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC(Cn2ccnc2)C(C)C)nc2ncnn12
InChIInChI=1S/C17H23N7O/c1-11(2)14(8-23-6-5-18-10-23)21-16(25)13-7-15(12(3)4)24-17(22-13)19-9-20-24/h5-7,9-12,14H,8H2,1-4H3,(H,21,25)
InChIKeyXIOKFQIAWWMMDL-UHFFFAOYSA-N
XLogP1.90
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 650076
5-(3-aminopropyl)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181592
6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1H-pyridin-2-one
CID 11302099
US10155765, Example 60
CID 122515239
US10800784, Example 36
CID 153311177
US10800784, Example 14
CID 153311263
US10022354, Example 197
CID 121279738
N-methyl-6-[(5-methyl-1H-pyrazol-1-yl)acetyl]-4-(pyrrolidin-1-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 72870385
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 91911067
US9777000, Example 2.16
CID 90383193
US9777000, Example 2.22
CID 90383194
US9777000, Example 2.21
CID 90383216

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 50974403) is N-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1cc(C(=O)NC(Cn2ccnc2)C(C)C)nc2ncnn12.
What is the InChIKey of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is XIOKFQIAWWMMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-11(2)14(8-23-6-5-18-10-23)21-16(25)13-7-15(12(3)4)24-17(22-13)19-9-20-24/h5-7,9-12,14H,8H2,1-4H3,(H,21,25).
What are the key properties of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 50974403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).