N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide

C21H20N6O — CID 167788077

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCc2c1cnn2Cc1ccccc1)c1cn2cccnc2n1
InChIInChI=1S/C21H20N6O/c28-20(18-14-26-11-5-10-22-21(26)25-18)24-17-8-4-9-19-16(17)12-23-27(19)13-15-6-2-1-3-7-15/h1-3,5-7,10-12,14,17H,4,8-9,13H2,(H,24,28)
InChIKeyFPORGGUREAGZNV-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.78
Rot. Bonds4

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 167788077) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID167788077
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCc2c1cnn2Cc1ccccc1)c1cn2cccnc2n1
InChIInChI=1S/C21H20N6O/c28-20(18-14-26-11-5-10-22-21(26)25-18)24-17-8-4-9-19-16(17)12-23-27(19)13-15-6-2-1-3-7-15/h1-3,5-7,10-12,14,17H,4,8-9,13H2,(H,24,28)
InChIKeyFPORGGUREAGZNV-UHFFFAOYSA-N
XLogP2.78
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 167788077) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is O=C(NC1CCCc2c1cnn2Cc1ccccc1)c1cn2cccnc2n1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is FPORGGUREAGZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-20(18-14-26-11-5-10-22-21(26)25-18)24-17-8-4-9-19-16(17)12-23-27(19)13-15-6-2-1-3-7-15/h1-3,5-7,10-12,14,17H,4,8-9,13H2,(H,24,28).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 167788077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).