(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine

C50H58N14O4 — CID 159119539

IUPAC(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccnn3[C@@H]3CCCCO3)c2n1.C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccnn3[C@H]3CCCCO3)c2n1
InChIInChI=1S/2C25H29N7O2/c2*1-17-16-33-14-12-31(17)22-15-19(20-7-10-27-30(20)2)18-6-9-26-25(24(18)29-22)21-8-11-28-32(21)23-5-3-4-13-34-23/h2*6-11,15,17,23H,3-5,12-14,16H2,1-2H3/t17-,23+;17-,23-/m11/s1
InChIKeyKFMZNRDEOJMDHE-DEIXQTLHSA-N
MW919.11 g/mol
LogP7.64
Rot. Bonds8

About (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine

(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine (PubChem CID 159119539) has the molecular formula C50H58N14O4 and a molecular weight of 919.11 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
PubChem CID159119539
Molecular FormulaC50H58N14O4
Molecular Weight919.11 g/mol
Exact Mass918.48
IUPAC Name(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccnn3[C@@H]3CCCCO3)c2n1.C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccnn3[C@H]3CCCCO3)c2n1
InChIInChI=1S/2C25H29N7O2/c2*1-17-16-33-14-12-31(17)22-15-19(20-7-10-27-30(20)2)18-6-9-26-25(24(18)29-22)21-8-11-28-32(21)23-5-3-4-13-34-23/h2*6-11,15,17,23H,3-5,12-14,16H2,1-2H3/t17-,23+;17-,23-/m11/s1
InChIKeyKFMZNRDEOJMDHE-DEIXQTLHSA-N
XLogP7.64
TPSA166.24 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.11
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine with MolForge

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Related Compounds

Elimusertib
CID 118869362
4-(2-fluorophenyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869157
2-fluoro-6-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline
CID 118869189
5-fluoro-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline
CID 118869320
N-(4-fluorophenyl)-N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine
CID 118869337
2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-4-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-1,7-naphthyridine
CID 118869349
4-(2,3-difluorophenyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869369
4-[2-fluoro-4-(pyrrolidin-1-yl)phenyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869378
1-[2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-3-(trifluoromethyl)azetidin-3-ol
CID 118869590
4-fluoro-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 118890736
4-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118890768
4-(6-fluoropyridin-2-yl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118890778

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine (CID 159119539) is (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine is C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccnn3[C@@H]3CCCCO3)c2n1.C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccnn3[C@H]3CCCCO3)c2n1.
What is the InChIKey of (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is KFMZNRDEOJMDHE-DEIXQTLHSA-N. The full InChI is InChI=1S/2C25H29N7O2/c2*1-17-16-33-14-12-31(17)22-15-19(20-7-10-27-30(20)2)18-6-9-26-25(24(18)29-22)21-8-11-28-32(21)23-5-3-4-13-34-23/h2*6-11,15,17,23H,3-5,12-14,16H2,1-2H3/t17-,23+;17-,23-/m11/s1.
What are the key properties of (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 919.11 g/mol, XLogP of 7.64, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2R)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-[2-[(2S)-oxan-2-yl]pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 159119539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).