4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide

C22H19N7O2S — CID 155167347

IUPAC4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cn2cc(CNCc3cncs3)ccc2n1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C22H19N7O2S/c30-21-7-18(27-20-3-1-2-6-29(20)21)22(31)25-9-16-13-28-12-15(4-5-19(28)26-16)8-23-10-17-11-24-14-32-17/h1-7,11-14,23H,8-10H2,(H,25,31)
InChIKeyHONBPIJYJVITEI-UHFFFAOYSA-N
MW445.51 g/mol
LogP2.02
Rot. Bonds7

About 4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide

4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 155167347) has the molecular formula C22H19N7O2S and a molecular weight of 445.51 g/mol. Its IUPAC name is 4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID155167347
Molecular FormulaC22H19N7O2S
Molecular Weight445.51 g/mol
Exact Mass445.13
IUPAC Name4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cn2cc(CNCc3cncs3)ccc2n1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C22H19N7O2S/c30-21-7-18(27-20-3-1-2-6-29(20)21)22(31)25-9-16-13-28-12-15(4-5-19(28)26-16)8-23-10-17-11-24-14-32-17/h1-7,11-14,23H,8-10H2,(H,25,31)
InChIKeyHONBPIJYJVITEI-UHFFFAOYSA-N
XLogP2.02
TPSA105.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167703
N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167659
N-[[6-[[(2,2-dimethylcyclopropyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167361
N-[[6-(2-anilino-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 162715461
N-[[6-[[[(1S,2S,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167554
N-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167590
N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167728
N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167642
N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167408
N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-carboxamide
CID 155884492
2-[3-(6-tert-butylimidazo[1,2-a]pyridin-2-yl)propanoyl]pyrido[1,2-a]pyrimidin-4-one
CID 170391559
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide (CID 155167347) is 4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1cn2cc(CNCc3cncs3)ccc2n1)c1cc(=O)n2ccccc2n1.
What is the InChIKey of 4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is HONBPIJYJVITEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2S/c30-21-7-18(27-20-3-1-2-6-29(20)21)22(31)25-9-16-13-28-12-15(4-5-19(28)26-16)8-23-10-17-11-24-14-32-17/h1-7,11-14,23H,8-10H2,(H,25,31).
What are the key properties of 4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide?
4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 445.51 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 155167347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).