N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

C25H29N5O2 — CID 95226147

IUPACN,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccn2c(CN(C)[C@@H](C)c3ccon3)c(C(=O)N(C)CCc3ccccc3)nc12
InChIInChI=1S/C25H29N5O2/c1-18-9-8-14-30-22(17-29(4)19(2)21-13-16-32-27-21)23(26-24(18)30)25(31)28(3)15-12-20-10-6-5-7-11-20/h5-11,13-14,16,19H,12,15,17H2,1-4H3/t19-/m0/s1
InChIKeySJUCJXQDLCOBBN-IBGZPJMESA-N
MW431.54 g/mol
LogP4.14
Rot. Bonds8

About N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 95226147) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID95226147
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccn2c(CN(C)[C@@H](C)c3ccon3)c(C(=O)N(C)CCc3ccccc3)nc12
InChIInChI=1S/C25H29N5O2/c1-18-9-8-14-30-22(17-29(4)19(2)21-13-16-32-27-21)23(26-24(18)30)25(31)28(3)15-12-20-10-6-5-7-11-20/h5-11,13-14,16,19H,12,15,17H2,1-4H3/t19-/m0/s1
InChIKeySJUCJXQDLCOBBN-IBGZPJMESA-N
XLogP4.14
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,8-dimethyl-3-[[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 95226148
3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 95555697
3-[[(1-amino-1-oxopropan-2-yl)-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 56876006
3-[[2-hydroxyethyl(methyl)amino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 56918888
N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42596863
methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
CID 25287404
[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56862032
N-methyl-5-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45246149
N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 50964223
[3-[[[(2S)-2-hydroxy-2-phenylethyl]-methylamino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 29022785
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56869710
N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45242762

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 95226147) is N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide is Cc1cccn2c(CN(C)[C@@H](C)c3ccon3)c(C(=O)N(C)CCc3ccccc3)nc12.
What is the InChIKey of N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is SJUCJXQDLCOBBN-IBGZPJMESA-N. The full InChI is InChI=1S/C25H29N5O2/c1-18-9-8-14-30-22(17-29(4)19(2)21-13-16-32-27-21)23(26-24(18)30)25(31)28(3)15-12-20-10-6-5-7-11-20/h5-11,13-14,16,19H,12,15,17H2,1-4H3/t19-/m0/s1.
What are the key properties of N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 95226147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).