N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C25H21FN6O2 — CID 155167659

IUPACN-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cn2cc(CNCc3ccccc3F)ccc2n1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C25H21FN6O2/c26-20-6-2-1-5-18(20)13-27-12-17-8-9-22-29-19(16-31(22)15-17)14-28-25(34)21-11-24(33)32-10-4-3-7-23(32)30-21/h1-11,15-16,27H,12-14H2,(H,28,34)
InChIKeyUGLQZUHYZNPNLT-UHFFFAOYSA-N
MW456.48 g/mol
LogP2.70
Rot. Bonds7

About N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 155167659) has the molecular formula C25H21FN6O2 and a molecular weight of 456.48 g/mol. Its IUPAC name is N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID155167659
Molecular FormulaC25H21FN6O2
Molecular Weight456.48 g/mol
Exact Mass456.17
IUPAC NameN-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cn2cc(CNCc3ccccc3F)ccc2n1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C25H21FN6O2/c26-20-6-2-1-5-18(20)13-27-12-17-8-9-22-29-19(16-31(22)15-17)14-28-25(34)21-11-24(33)32-10-4-3-7-23(32)30-21/h1-11,15-16,27H,12-14H2,(H,28,34)
InChIKeyUGLQZUHYZNPNLT-UHFFFAOYSA-N
XLogP2.70
TPSA92.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[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
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
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-[[(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-[[[(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-[3-(4-fluorophenyl)-2-oxopropyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 141384233
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

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 155167659) is N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1cn2cc(CNCc3ccccc3F)ccc2n1)c1cc(=O)n2ccccc2n1.
What is the InChIKey of N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is UGLQZUHYZNPNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O2/c26-20-6-2-1-5-18(20)13-27-12-17-8-9-22-29-19(16-31(22)15-17)14-28-25(34)21-11-24(33)32-10-4-3-7-23(32)30-21/h1-11,15-16,27H,12-14H2,(H,28,34).
What are the key properties of N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 155167659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).