N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine

C19H18N6O2 — CID 16667935

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1c(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)cnn1C
InChIInChI=1S/C19H18N6O2/c1-12-14(9-22-24(12)2)18-19(25-6-5-20-10-17(25)23-18)21-8-13-3-4-15-16(7-13)27-11-26-15/h3-7,9-10,21H,8,11H2,1-2H3
InChIKeyBUCCVUZYLSECDA-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.78
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine

N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 16667935) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID16667935
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1c(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)cnn1C
InChIInChI=1S/C19H18N6O2/c1-12-14(9-22-24(12)2)18-19(25-6-5-20-10-17(25)23-18)21-8-13-3-4-15-16(7-13)27-11-26-15/h3-7,9-10,21H,8,11H2,1-2H3
InChIKeyBUCCVUZYLSECDA-UHFFFAOYSA-N
XLogP2.78
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-3-amine
CID 95849195
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-amine
CID 16668400
4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 102498211
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 5154058
N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyrazin-3-amine
CID 16674805
2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine
CID 95802757
2-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674529
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 7299187
2-[3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674314
4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135482448
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
CID 92567567
N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazo[1,2-a]pyrazin-3-ylamino)propanamide
CID 53039656

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine (CID 16667935) is N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine is Cc1c(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)cnn1C.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is BUCCVUZYLSECDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12-14(9-22-24(12)2)18-19(25-6-5-20-10-17(25)23-18)21-8-13-3-4-15-16(7-13)27-11-26-15/h3-7,9-10,21H,8,11H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine?
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 362.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 16667935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).