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

C21H30N6 — CID 128992634

IUPACN-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
SMILESCc1ccn2c(CN(C)C[C@@H]3CCCN(C)[C@H]3c3cnn(C)c3)cnc2c1
InChIInChI=1S/C21H30N6/c1-16-7-9-27-19(12-22-20(27)10-16)15-24(2)13-17-6-5-8-25(3)21(17)18-11-23-26(4)14-18/h7,9-12,14,17,21H,5-6,8,13,15H2,1-4H3/t17-,21+/m0/s1
InChIKeyLRJHLHGXSQJFOS-LAUBAEHRSA-N
MW366.51 g/mol
LogP2.89
Rot. Bonds5

About 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

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 (PubChem CID 128992634) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID128992634
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC NameN-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
SMILESCc1ccn2c(CN(C)C[C@@H]3CCCN(C)[C@H]3c3cnn(C)c3)cnc2c1
InChIInChI=1S/C21H30N6/c1-16-7-9-27-19(12-22-20(27)10-16)15-24(2)13-17-6-5-8-25(3)21(17)18-11-23-26(4)14-18/h7,9-12,14,17,21H,5-6,8,13,15H2,1-4H3/t17-,21+/m0/s1
InChIKeyLRJHLHGXSQJFOS-LAUBAEHRSA-N
XLogP2.89
TPSA41.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128998061
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
CID 128998321
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128966899
N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]pyridin-4-amine
CID 167963596
1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 128998863
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
N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]but-2-en-1-amine
CID 128994586
2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 129004021
N-[3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]propyl]methanesulfonamide
CID 128998327
N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120905321
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea
CID 128965369
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128968536

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccn2c(CN(C)C[C@@H]3CCCN(C)[C@H]3c3cnn(C)c3)cnc2c1.
What is the InChIKey of 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?
The InChIKey is LRJHLHGXSQJFOS-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H30N6/c1-16-7-9-27-19(12-22-20(27)10-16)15-24(2)13-17-6-5-8-25(3)21(17)18-11-23-26(4)14-18/h7,9-12,14,17,21H,5-6,8,13,15H2,1-4H3/t17-,21+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 366.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 128992634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).