N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H22FN5O2 — CID 51852870

IUPACN-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc([C@@H](C)NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c23)c(C)n1
InChIInChI=1S/C22H22FN5O2/c1-5-28-11-18(14(4)26-28)13(3)25-21(29)17-10-12(2)24-22-19(17)20(27-30-22)15-6-8-16(23)9-7-15/h6-11,13H,5H2,1-4H3,(H,25,29)/t13-/m1/s1
InChIKeyPTMUYJRQJOHUKS-CYBMUJFWSA-N
MW407.45 g/mol
LogP4.35
Rot. Bonds5

About N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51852870) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID51852870
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC NameN-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc([C@@H](C)NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c23)c(C)n1
InChIInChI=1S/C22H22FN5O2/c1-5-28-11-18(14(4)26-28)13(3)25-21(29)17-10-12(2)24-22-19(17)20(27-30-22)15-6-8-16(23)9-7-15/h6-11,13H,5H2,1-4H3,(H,25,29)/t13-/m1/s1
InChIKeyPTMUYJRQJOHUKS-CYBMUJFWSA-N
XLogP4.35
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51852893
3-(4-fluorophenyl)-6-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821389
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821707
3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19509428
6-methyl-3-(4-methylphenyl)-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315644
N-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821674
N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824754
6-(4-fluorophenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25491415
6-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42930048
N-[(1-ethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824402
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-nitrobenzamide
CID 19462806
N-[1-(4-ethoxyphenyl)ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42930094

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 51852870) is N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1cc([C@@H](C)NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c23)c(C)n1.
What is the InChIKey of N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PTMUYJRQJOHUKS-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-5-28-11-18(14(4)26-28)13(3)25-21(29)17-10-12(2)24-22-19(17)20(27-30-22)15-6-8-16(23)9-7-15/h6-11,13H,5H2,1-4H3,(H,25,29)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51852870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).