2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine

C22H17N5O2 — CID 140627223

IUPAC2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4cccnc4o3)cc2)n1
InChIInChI=1S/C22H17N5O2/c1-27-13-18(15-8-11-23-12-9-15)21(26-27)16-4-6-17(7-5-16)28-14-20-25-19-3-2-10-24-22(19)29-20/h2-13H,14H2,1H3
InChIKeyKHBRIBQQJUVPRT-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.26
Rot. Bonds5

About 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine

2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 140627223) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID140627223
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4cccnc4o3)cc2)n1
InChIInChI=1S/C22H17N5O2/c1-27-13-18(15-8-11-23-12-9-15)21(26-27)16-4-6-17(7-5-16)28-14-20-25-19-3-2-10-24-22(19)29-20/h2-13H,14H2,1H3
InChIKeyKHBRIBQQJUVPRT-UHFFFAOYSA-N
XLogP4.26
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine with MolForge

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Related Compounds

2-[[4-(1-(111C)methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]pyrido[3,2-d]pyrimidine
CID 72706913
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CID 23648644
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,6-naphthyridine
CID 140627213
1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
CID 23648648
butanedioic acid;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 24857794
7-chloro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline;hydron;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline;chloride
CID 69225611
N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide
CID 167444521
4-(1-methyl-4-phenylpyrazol-3-yl)pyridine
CID 20716425
5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 166210227
3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline
CID 70813184
2-[3-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
CID 118375206
8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline
CID 70813289

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine (CID 140627223) is 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine is Cn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4cccnc4o3)cc2)n1.
What is the InChIKey of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is KHBRIBQQJUVPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-27-13-18(15-8-11-23-12-9-15)21(26-27)16-4-6-17(7-5-16)28-14-20-25-19-3-2-10-24-22(19)29-20/h2-13H,14H2,1H3.
What are the key properties of 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine?
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 383.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 140627223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).