N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C22H19FN4O5 — CID 67310271

IUPACN-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N(Cc1cccnc1)C(O)C2
InChIInChI=1S/C22H19FN4O5/c23-15-5-3-13(4-6-15)9-25-21(31)16-11-26-12-17(28)27(10-14-2-1-7-24-8-14)22(32)18(26)20(30)19(16)29/h1-8,11,17,28,30H,9-10,12H2,(H,25,31)
InChIKeyRMOQHUYCRNTQMQ-UHFFFAOYSA-N
MW438.42 g/mol
LogP0.99
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 67310271) has the molecular formula C22H19FN4O5 and a molecular weight of 438.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID67310271
Molecular FormulaC22H19FN4O5
Molecular Weight438.42 g/mol
Exact Mass438.13
IUPAC NameN-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N(Cc1cccnc1)C(O)C2
InChIInChI=1S/C22H19FN4O5/c23-15-5-3-13(4-6-15)9-25-21(31)16-11-26-12-17(28)27(10-14-2-1-7-24-8-14)22(32)18(26)20(30)19(16)29/h1-8,11,17,28,30H,9-10,12H2,(H,25,31)
InChIKeyRMOQHUYCRNTQMQ-UHFFFAOYSA-N
XLogP0.99
TPSA124.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(2-phenoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 67309710
N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(2,4,4-trimethylpentan-2-yl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 67309787
N,2-bis[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-d][1,2,4]triazine-7-carboxamide
CID 68941494
N-[(4-fluorophenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-6-carboxamide
CID 66594193
N-[(4-fluorophenyl)methyl]-4,9-dihydroxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide
CID 68675687
(3S,6R)-N-[(4-fluorophenyl)methyl]-11-hydroxy-6-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 102584023
N-[(4-fluorophenyl)methyl]-4-hydroxy-2,5-dioxo-1,8,11-triazatricyclo[8.5.0.03,8]pentadeca-3,6-diene-6-carboxamide
CID 66594517
N-[(4-fluorophenyl)methyl]-11-hydroxy-9,12-dioxo-4-(1,3-thiazol-2-ylmethyl)-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 66594335
1-(4-fluorophenyl)-4-oxo-N-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 70011453
(3R,6S)-6-tert-butyl-N-[(4-fluorophenyl)methyl]-10-hydroxy-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 54713669
4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 53135643
N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 67310062

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 67310271) is N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N(Cc1cccnc1)C(O)C2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is RMOQHUYCRNTQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O5/c23-15-5-3-13(4-6-15)9-25-21(31)16-11-26-12-17(28)27(10-14-2-1-7-24-8-14)22(32)18(26)20(30)19(16)29/h1-8,11,17,28,30H,9-10,12H2,(H,25,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 438.42 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 67310271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).