N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine

C18H23N7 — CID 136905583

IUPACN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1cc2n(n1)C[C@H](CNCc1ccnc(-n3ccnc3C)c1)CN2
InChIInChI=1S/C18H23N7/c1-13-7-18-22-11-16(12-25(18)23-13)10-19-9-15-3-4-21-17(8-15)24-6-5-20-14(24)2/h3-8,16,19,22H,9-12H2,1-2H3/t16-/m1/s1
InChIKeyWBKMVCTZUPIERR-MRXNPFEDSA-N
MW337.43 g/mol
LogP1.91
Rot. Bonds5

About N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine

N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 136905583) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
PubChem CID136905583
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC NameN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1cc2n(n1)C[C@H](CNCc1ccnc(-n3ccnc3C)c1)CN2
InChIInChI=1S/C18H23N7/c1-13-7-18-22-11-16(12-25(18)23-13)10-19-9-15-3-4-21-17(8-15)24-6-5-20-14(24)2/h3-8,16,19,22H,9-12H2,1-2H3/t16-/m1/s1
InChIKeyWBKMVCTZUPIERR-MRXNPFEDSA-N
XLogP1.91
TPSA72.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136716924
1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine
CID 136877397
1-[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 136905515
N-[[3-(methoxymethyl)phenyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136905132
N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide
CID 136713498
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136713538
1-[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]methanamine
CID 136713497
1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 136905500
N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine
CID 136905240
2,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pyrimidin-4-amine
CID 167795619
(2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol
CID 136905643
(1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol
CID 136857245

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine (CID 136905583) is N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine is Cc1cc2n(n1)C[C@H](CNCc1ccnc(-n3ccnc3C)c1)CN2.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The InChIKey is WBKMVCTZUPIERR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N7/c1-13-7-18-22-11-16(12-25(18)23-13)10-19-9-15-3-4-21-17(8-15)24-6-5-20-14(24)2/h3-8,16,19,22H,9-12H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine has a molecular weight of 337.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 136905583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).