N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine

C19H27N7 — CID 128983687

IUPACN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine
SMILESCN(Cc1cnc2cnccn12)C[C@@H]1CCCN(C)[C@H]1c1cncn1C
InChIInChI=1S/C19H27N7/c1-23(13-16-9-22-18-11-20-6-8-26(16)18)12-15-5-4-7-24(2)19(15)17-10-21-14-25(17)3/h6,8-11,14-15,19H,4-5,7,12-13H2,1-3H3/t15-,19+/m0/s1
InChIKeyAWEJFCHGSQPLBL-HNAYVOBHSA-N
MW353.47 g/mol
LogP1.98
Rot. Bonds5

About N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine

N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine (PubChem CID 128983687) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine
PubChem CID128983687
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC NameN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine
SMILESCN(Cc1cnc2cnccn12)C[C@@H]1CCCN(C)[C@H]1c1cncn1C
InChIInChI=1S/C19H27N7/c1-23(13-16-9-22-18-11-20-6-8-26(16)18)12-15-5-4-7-24(2)19(15)17-10-21-14-25(17)3/h6,8-11,14-15,19H,4-5,7,12-13H2,1-3H3/t15-,19+/m0/s1
InChIKeyAWEJFCHGSQPLBL-HNAYVOBHSA-N
XLogP1.98
TPSA54.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128992634
2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide
CID 128989666
N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 128981570
4-[methyl-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 154769445
N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 154741257
2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide
CID 128977886
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine
CID 128987589
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
CID 128998321
N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128989664
1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine
CID 84593232
1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine
CID 128983758
N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide
CID 128981766

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine?
The IUPAC name of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine (CID 128983687) is N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine?
The canonical SMILES for N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine is CN(Cc1cnc2cnccn12)C[C@@H]1CCCN(C)[C@H]1c1cncn1C.
What is the InChIKey of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine?
The InChIKey is AWEJFCHGSQPLBL-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H27N7/c1-23(13-16-9-22-18-11-20-6-8-26(16)18)12-15-5-4-7-24(2)19(15)17-10-21-14-25(17)3/h6,8-11,14-15,19H,4-5,7,12-13H2,1-3H3/t15-,19+/m0/s1.
What are the key properties of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine?
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine has a molecular weight of 353.47 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 128983687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).