(3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C22H25N7O — CID 118869602

IUPAC(3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCCn1nc(C)cc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C22H25N7O/c1-4-29-19(11-14(2)27-29)17-12-20(28-9-10-30-13-15(28)3)25-21-16(17)5-7-23-22(21)18-6-8-24-26-18/h5-8,11-12,15H,4,9-10,13H2,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyDXPMEKJAAORXIP-OAHLLOKOSA-N
MW403.49 g/mol
LogP3.44
Rot. Bonds4

About (3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869602) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is (3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869602
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name(3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCCn1nc(C)cc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C22H25N7O/c1-4-29-19(11-14(2)27-29)17-12-20(28-9-10-30-13-15(28)3)25-21-16(17)5-7-23-22(21)18-6-8-24-26-18/h5-8,11-12,15H,4,9-10,13H2,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyDXPMEKJAAORXIP-OAHLLOKOSA-N
XLogP3.44
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869602) is (3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is CCn1nc(C)cc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of (3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is DXPMEKJAAORXIP-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N7O/c1-4-29-19(11-14(2)27-29)17-12-20(28-9-10-30-13-15(28)3)25-21-16(17)5-7-23-22(21)18-6-8-24-26-18/h5-8,11-12,15H,4,9-10,13H2,1-3H3,(H,24,26)/t15-/m1/s1.
What are the key properties of (3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 403.49 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).