N-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine

C19H20N6 — CID 25167072

IUPACN-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESc1cnc2nc(-c3ccc4[nH]ncc4c3)c(NC3CCCCC3)n2c1
InChIInChI=1S/C19H20N6/c1-2-5-15(6-3-1)22-18-17(23-19-20-9-4-10-25(18)19)13-7-8-16-14(11-13)12-21-24-16/h4,7-12,15,22H,1-3,5-6H2,(H,21,24)
InChIKeyCALAEFSQWBJMDU-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.02
Rot. Bonds3

About N-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine

N-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 25167072) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID25167072
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC NameN-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESc1cnc2nc(-c3ccc4[nH]ncc4c3)c(NC3CCCCC3)n2c1
InChIInChI=1S/C19H20N6/c1-2-5-15(6-3-1)22-18-17(23-19-20-9-4-10-25(18)19)13-7-8-16-14(11-13)12-21-24-16/h4,7-12,15,22H,1-3,5-6H2,(H,21,24)
InChIKeyCALAEFSQWBJMDU-UHFFFAOYSA-N
XLogP4.02
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine (CID 25167072) is N-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine is c1cnc2nc(-c3ccc4[nH]ncc4c3)c(NC3CCCCC3)n2c1.
What is the InChIKey of N-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is CALAEFSQWBJMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-2-5-15(6-3-1)22-18-17(23-19-20-9-4-10-25(18)19)13-7-8-16-14(11-13)12-21-24-16/h4,7-12,15,22H,1-3,5-6H2,(H,21,24).
What are the key properties of N-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine?
N-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 332.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 25167072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).