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

C20H20N6O2 — CID 122585631

IUPAC4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1noc(C)c1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C20H20N6O2/c1-12-18(13(2)28-25-12)15-11-17(26-7-9-27-10-8-26)23-19-14(15)3-5-21-20(19)16-4-6-22-24-16/h3-6,11H,7-10H2,1-2H3,(H,22,24)
InChIKeyCCFAOIKBGPFBSB-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.13
Rot. Bonds3

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

4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 122585631) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 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]morpholine.

Molecular Properties

Compound Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID122585631
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1noc(C)c1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C20H20N6O2/c1-12-18(13(2)28-25-12)15-11-17(26-7-9-27-10-8-26)23-19-14(15)3-5-21-20(19)16-4-6-22-24-16/h3-6,11H,7-10H2,1-2H3,(H,22,24)
InChIKeyCCFAOIKBGPFBSB-UHFFFAOYSA-N
XLogP3.13
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.13
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]acetamide
CID 129165999
N-(2,4-Difluorophenyl)-5-(3,5-dimethylisoxazol-4-yl)pyrido[3,2-d]pyridazin-2-amine
CID 46205511
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
US10023570, Example 631
CID 124200142
US10023570, Example 629
CID 124200185
US10023570, Example 625
CID 126753001
US10729680, Example 14
CID 130228837

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]morpholine?
The IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 122585631) is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
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]morpholine?
The canonical SMILES for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1noc(C)c1-c1cc(N2CCOCC2)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]morpholine?
The InChIKey is CCFAOIKBGPFBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-12-18(13(2)28-25-12)15-11-17(26-7-9-27-10-8-26)23-19-14(15)3-5-21-20(19)16-4-6-22-24-16/h3-6,11H,7-10H2,1-2H3,(H,22,24).
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]morpholine?
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 376.42 g/mol, XLogP of 3.13, 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]morpholine is sourced from PubChem (CID 122585631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).