3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine

C16H23N7 — CID 71193724

IUPAC3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCN1CC(c2cnc3c(NCC4CCNCC4)nccn23)C=N1
InChIInChI=1S/C16H23N7/c1-22-11-13(9-21-22)14-10-20-16-15(18-6-7-23(14)16)19-8-12-2-4-17-5-3-12/h6-7,9-10,12-13,17H,2-5,8,11H2,1H3,(H,18,19)
InChIKeyRSFWDHLTVMVVGF-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.16
Rot. Bonds4

About 3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine

3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 71193724) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID71193724
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCN1CC(c2cnc3c(NCC4CCNCC4)nccn23)C=N1
InChIInChI=1S/C16H23N7/c1-22-11-13(9-21-22)14-10-20-16-15(18-6-7-23(14)16)19-8-12-2-4-17-5-3-12/h6-7,9-10,12-13,17H,2-5,8,11H2,1H3,(H,18,19)
InChIKeyRSFWDHLTVMVVGF-UHFFFAOYSA-N
XLogP1.16
TPSA69.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine (CID 71193724) is 3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine is CN1CC(c2cnc3c(NCC4CCNCC4)nccn23)C=N1.
What is the InChIKey of 3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is RSFWDHLTVMVVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-22-11-13(9-21-22)14-10-20-16-15(18-6-7-23(14)16)19-8-12-2-4-17-5-3-12/h6-7,9-10,12-13,17H,2-5,8,11H2,1H3,(H,18,19).
What are the key properties of 3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 313.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3,4-dihydropyrazol-4-yl)-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 71193724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).