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

C21H23N7O — CID 118869151

IUPAC(3R)-4-[4-(1-ethylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCCn1cnc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C21H23N7O/c1-3-27-11-18(23-13-27)16-10-19(28-8-9-29-12-14(28)2)25-20-15(16)4-6-22-21(20)17-5-7-24-26-17/h4-7,10-11,13-14H,3,8-9,12H2,1-2H3,(H,24,26)/t14-/m1/s1
InChIKeyDBKBOPCEWQHCQO-CQSZACIVSA-N
MW389.46 g/mol
LogP3.13
Rot. Bonds4

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

(3R)-4-[4-(1-ethylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869151) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is (3R)-4-[4-(1-ethylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(1-ethylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869151
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name(3R)-4-[4-(1-ethylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCCn1cnc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C21H23N7O/c1-3-27-11-18(23-13-27)16-10-19(28-8-9-29-12-14(28)2)25-20-15(16)4-6-22-21(20)17-5-7-24-26-17/h4-7,10-11,13-14H,3,8-9,12H2,1-2H3,(H,24,26)/t14-/m1/s1
InChIKeyDBKBOPCEWQHCQO-CQSZACIVSA-N
XLogP3.13
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(1-ethylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(1-ethylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869151) is (3R)-4-[4-(1-ethylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(1-ethylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(1-ethylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is CCn1cnc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)c1.
What is the InChIKey of (3R)-4-[4-(1-ethylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is DBKBOPCEWQHCQO-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N7O/c1-3-27-11-18(23-13-27)16-10-19(28-8-9-29-12-14(28)2)25-20-15(16)4-6-22-21(20)17-5-7-24-26-17/h4-7,10-11,13-14H,3,8-9,12H2,1-2H3,(H,24,26)/t14-/m1/s1.
What are the key properties of (3R)-4-[4-(1-ethylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(1-ethylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 389.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(1-ethylimidazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).