N-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H23N5O3 — CID 44821767

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(CN(C)C(=O)c2cc(-c3ccc(OC)cc3)nc3onc(C)c23)n1
InChIInChI=1S/C22H23N5O3/c1-5-27-11-10-16(24-27)13-26(3)22(28)18-12-19(15-6-8-17(29-4)9-7-15)23-21-20(18)14(2)25-30-21/h6-12H,5,13H2,1-4H3
InChIKeyHHYVEKYVQSCSSQ-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.70
Rot. Bonds6

About N-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821767) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821767
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(CN(C)C(=O)c2cc(-c3ccc(OC)cc3)nc3onc(C)c23)n1
InChIInChI=1S/C22H23N5O3/c1-5-27-11-10-16(24-27)13-26(3)22(28)18-12-19(15-6-8-17(29-4)9-7-15)23-21-20(18)14(2)25-30-21/h6-12H,5,13H2,1-4H3
InChIKeyHHYVEKYVQSCSSQ-UHFFFAOYSA-N
XLogP3.70
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44821767) is N-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1ccc(CN(C)C(=O)c2cc(-c3ccc(OC)cc3)nc3onc(C)c23)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HHYVEKYVQSCSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-5-27-11-10-16(24-27)13-26(3)22(28)18-12-19(15-6-8-17(29-4)9-7-15)23-21-20(18)14(2)25-30-21/h6-12H,5,13H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-6-(4-methoxyphenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).