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

C21H23N7O — CID 118869165

IUPAC(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C21H23N7O/c1-13-11-24-27(3)21(13)16-10-18(28-8-9-29-12-14(28)2)25-19-15(16)4-6-22-20(19)17-5-7-23-26-17/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyZITUZZUKNOLFQJ-CQSZACIVSA-N
MW389.46 g/mol
LogP2.95
Rot. Bonds3

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

(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869165) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869165
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C21H23N7O/c1-13-11-24-27(3)21(13)16-10-18(28-8-9-29-12-14(28)2)25-19-15(16)4-6-22-20(19)17-5-7-23-26-17/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyZITUZZUKNOLFQJ-CQSZACIVSA-N
XLogP2.95
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869165) is (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is ZITUZZUKNOLFQJ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-11-24-27(3)21(13)16-10-18(28-8-9-29-12-14(28)2)25-19-15(16)4-6-22-20(19)17-5-7-23-26-17/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/m1/s1.
What are the key properties of (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 389.46 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).