3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine

C26H29N7O2 — CID 118869281

IUPAC3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine
SMILESC[C@@H]1COCCN1c1cc(-c2cccnc2N)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C26H29N7O2/c1-17-16-34-14-12-32(17)22-15-20(19-5-4-9-29-26(19)27)18-7-10-28-25(24(18)31-22)21-8-11-30-33(21)23-6-2-3-13-35-23/h4-5,7-11,15,17,23H,2-3,6,12-14,16H2,1H3,(H2,27,29)/t17-,23?/m1/s1
InChIKeyCUJACEFLQFNLBJ-LIXIDFRTSA-N
MW471.57 g/mol
LogP4.06
Rot. Bonds4

About 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine

3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine (PubChem CID 118869281) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine
PubChem CID118869281
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine
SMILESC[C@@H]1COCCN1c1cc(-c2cccnc2N)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C26H29N7O2/c1-17-16-34-14-12-32(17)22-15-20(19-5-4-9-29-26(19)27)18-7-10-28-25(24(18)31-22)21-8-11-30-33(21)23-6-2-3-13-35-23/h4-5,7-11,15,17,23H,2-3,6,12-14,16H2,1H3,(H2,27,29)/t17-,23?/m1/s1
InChIKeyCUJACEFLQFNLBJ-LIXIDFRTSA-N
XLogP4.06
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 134446600
4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446578
(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-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446399
3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446428
4-[4-cyclopropyl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118869367
(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
(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
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-[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-[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
(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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine?
The IUPAC name of 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) is 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine is C[C@@H]1COCCN1c1cc(-c2cccnc2N)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine?
The InChIKey is CUJACEFLQFNLBJ-LIXIDFRTSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-17-16-34-14-12-32(17)22-15-20(19-5-4-9-29-26(19)27)18-7-10-28-25(24(18)31-22)21-8-11-30-33(21)23-6-2-3-13-35-23/h4-5,7-11,15,17,23H,2-3,6,12-14,16H2,1H3,(H2,27,29)/t17-,23?/m1/s1.
What are the key properties of 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine?
3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine has a molecular weight of 471.57 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine is sourced from PubChem (CID 118869281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).