4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C21H22N6O2 — CID 134446392

IUPAC4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1noc(C)c1-c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C21H22N6O2/c1-12-11-28-9-8-27(12)18-10-16(19-13(2)26-29-14(19)3)15-4-6-22-21(20(15)24-18)17-5-7-23-25-17/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,25)
InChIKeyBTSQQLQBVZAAPN-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.52
Rot. Bonds3

About 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 134446392) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID134446392
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1noc(C)c1-c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C21H22N6O2/c1-12-11-28-9-8-27(12)18-10-16(19-13(2)26-29-14(19)3)15-4-6-22-21(20(15)24-18)17-5-7-23-25-17/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,25)
InChIKeyBTSQQLQBVZAAPN-UHFFFAOYSA-N
XLogP3.52
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-N-methylacetamide
CID 129165774
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]acetamide
CID 129165999
N-(2,4-Difluorophenyl)-5-(3,5-dimethylisoxazol-4-yl)pyrido[3,2-d]pyridazin-2-amine
CID 46205511
1-[(1S)-2-ethoxy-1-phenylethyl]-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044929
US10772893, Example 135
CID 118869177
US10772893, Example 112
CID 118869179
2-[(3R)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869334
4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869415
4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869480
4-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869646
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 122585631
US10023570, Example 631
CID 124200142

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 134446392) is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is Cc1noc(C)c1-c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is BTSQQLQBVZAAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-12-11-28-9-8-27(12)18-10-16(19-13(2)26-29-14(19)3)15-4-6-22-21(20(15)24-18)17-5-7-23-25-17/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,25).
What are the key properties of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 390.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 134446392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).