N-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide

C25H28ClN5O3 — CID 154849553

IUPACN-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCC1CN(CC(=O)N(Cc2ccccc2)C2CC2)CCO1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C25H28ClN5O3/c26-24-23(30-11-5-4-8-21(30)28-24)25(33)27-14-20-16-29(12-13-34-20)17-22(32)31(19-9-10-19)15-18-6-2-1-3-7-18/h1-8,11,19-20H,9-10,12-17H2,(H,27,33)
InChIKeyWSWHUARIZOGEEX-UHFFFAOYSA-N
MW481.98 g/mol
LogP2.61
Rot. Bonds8

About N-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide

N-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 154849553) has the molecular formula C25H28ClN5O3 and a molecular weight of 481.98 g/mol. Its IUPAC name is N-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID154849553
Molecular FormulaC25H28ClN5O3
Molecular Weight481.98 g/mol
Exact Mass481.19
IUPAC NameN-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCC1CN(CC(=O)N(Cc2ccccc2)C2CC2)CCO1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C25H28ClN5O3/c26-24-23(30-11-5-4-8-21(30)28-24)25(33)27-14-20-16-29(12-13-34-20)17-22(32)31(19-9-10-19)15-18-6-2-1-3-7-18/h1-8,11,19-20H,9-10,12-17H2,(H,27,33)
InChIKeyWSWHUARIZOGEEX-UHFFFAOYSA-N
XLogP2.61
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine
CID 95345643
[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone
CID 129486455
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163
3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid
CID 99781385
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30531255
N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 90904746
(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51671316
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide (CID 154849553) is N-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide is O=C(NCC1CN(CC(=O)N(Cc2ccccc2)C2CC2)CCO1)c1c(Cl)nc2ccccn12.
What is the InChIKey of N-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WSWHUARIZOGEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O3/c26-24-23(30-11-5-4-8-21(30)28-24)25(33)27-14-20-16-29(12-13-34-20)17-22(32)31(19-9-10-19)15-18-6-2-1-3-7-18/h1-8,11,19-20H,9-10,12-17H2,(H,27,33).
What are the key properties of N-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide?
N-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 481.98 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]morpholin-2-yl]methyl]-2-chloroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 154849553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).