3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine

C27H33N7O2 — CID 134446428

IUPAC3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCCCn1nccc1-c1cc(N2CCOCC2C)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C27H33N7O2/c1-3-13-33-22(8-11-29-33)21-17-24(32-14-16-35-18-19(32)2)31-26-20(21)7-10-28-27(26)23-9-12-30-34(23)25-6-4-5-15-36-25/h7-12,17,19,25H,3-6,13-16,18H2,1-2H3
InChIKeyCQWRJLSIIQQFFY-UHFFFAOYSA-N
MW487.61 g/mol
LogP4.69
Rot. Bonds6

About 3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine

3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 134446428) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID134446428
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCCCn1nccc1-c1cc(N2CCOCC2C)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C27H33N7O2/c1-3-13-33-22(8-11-29-33)21-17-24(32-14-16-35-18-19(32)2)31-26-20(21)7-10-28-27(26)23-9-12-30-34(23)25-6-4-5-15-36-25/h7-12,17,19,25H,3-6,13-16,18H2,1-2H3
InChIKeyCQWRJLSIIQQFFY-UHFFFAOYSA-N
XLogP4.69
TPSA83.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446399
3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 134446600
(3R)-4-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118890738
3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine
CID 118869281
4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446578
4-[4-cyclopropyl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118869367
(3R)-3-methyl-4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 118890587
4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446334
(3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 175910822
(3R)-4-[5-fluoro-8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 170688179
(3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 170688153
(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020381

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine (CID 134446428) is 3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine is CCCn1nccc1-c1cc(N2CCOCC2C)nc2c(-c3ccnn3C3CCCCO3)nccc12.
What is the InChIKey of 3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is CQWRJLSIIQQFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-3-13-33-22(8-11-29-33)21-17-24(32-14-16-35-18-19(32)2)31-26-20(21)7-10-28-27(26)23-9-12-30-34(23)25-6-4-5-15-36-25/h7-12,17,19,25H,3-6,13-16,18H2,1-2H3.
What are the key properties of 3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 487.61 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 134446428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).