(2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine

C20H24N6O2 — CID 118869266

IUPAC(2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine
SMILESC[C@H]1CN(c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)CCO1
InChIInChI=1S/C20H24N6O2/c1-14-13-26(8-11-28-14)17-12-18(25-6-9-27-10-7-25)23-19-15(17)2-4-21-20(19)16-3-5-22-24-16/h2-5,12,14H,6-11,13H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyVCGRPLADORIPMN-AWEZNQCLSA-N
MW380.45 g/mol
LogP2.08
Rot. Bonds3

About (2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine

(2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine (PubChem CID 118869266) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine
PubChem CID118869266
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name(2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine
SMILESC[C@H]1CN(c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)CCO1
InChIInChI=1S/C20H24N6O2/c1-14-13-26(8-11-28-14)17-12-18(25-6-9-27-10-7-25)23-19-15(17)2-4-21-20(19)16-3-5-22-24-16/h2-5,12,14H,6-11,13H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyVCGRPLADORIPMN-AWEZNQCLSA-N
XLogP2.08
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine?
The IUPAC name of (2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine (CID 118869266) is (2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine.
What is the SMILES notation for (2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine?
The canonical SMILES for (2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine is C[C@H]1CN(c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)CCO1.
What is the InChIKey of (2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine?
The InChIKey is VCGRPLADORIPMN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-13-26(8-11-28-14)17-12-18(25-6-9-27-10-7-25)23-19-15(17)2-4-21-20(19)16-3-5-22-24-16/h2-5,12,14H,6-11,13H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine?
(2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine has a molecular weight of 380.45 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine is sourced from PubChem (CID 118869266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).