N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C23H31N5O3 — CID 125170829

IUPACN-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cn2ccccc2n1
InChIInChI=1S/C23H31N5O3/c29-22-16-31-19(11-24-23(30)20-15-27-8-2-1-3-21(27)25-20)14-28(22)13-18-6-9-26(10-7-18)12-17-4-5-17/h1-3,8,15,17-19H,4-7,9-14,16H2,(H,24,30)/t19-/m0/s1
InChIKeyQJTWSJYYOYSZJN-IBGZPJMESA-N
MW425.53 g/mol
LogP1.41
Rot. Bonds7

About N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 125170829) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID125170829
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cn2ccccc2n1
InChIInChI=1S/C23H31N5O3/c29-22-16-31-19(11-24-23(30)20-15-27-8-2-1-3-21(27)25-20)14-28(22)13-18-6-9-26(10-7-18)12-17-4-5-17/h1-3,8,15,17-19H,4-7,9-14,16H2,(H,24,30)/t19-/m0/s1
InChIKeyQJTWSJYYOYSZJN-IBGZPJMESA-N
XLogP1.41
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125159273
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 125162074
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 125170428
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(2-hydroxyphenyl)acetamide
CID 154568227
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 125165829
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 125166643
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 125165420
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(triazol-2-yl)acetamide
CID 125166319
(E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide
CID 118785319
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 125180018
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 125163956
N-[[(2S)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 94184886

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 125170829) is N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cn2ccccc2n1.
What is the InChIKey of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is QJTWSJYYOYSZJN-IBGZPJMESA-N. The full InChI is InChI=1S/C23H31N5O3/c29-22-16-31-19(11-24-23(30)20-15-27-8-2-1-3-21(27)25-20)14-28(22)13-18-6-9-26(10-7-18)12-17-4-5-17/h1-3,8,15,17-19H,4-7,9-14,16H2,(H,24,30)/t19-/m0/s1.
What are the key properties of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 125170829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).