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

C22H22N6O2 — CID 118869604

IUPAC(3R)-4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCOc1ncccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C22H22N6O2/c1-14-13-30-11-10-28(14)19-12-17(16-4-3-7-24-22(16)29-2)15-5-8-23-21(20(15)26-19)18-6-9-25-27-18/h3-9,12,14H,10-11,13H2,1-2H3,(H,25,27)/t14-/m1/s1
InChIKeyIVJGSXVZFLQKOX-CQSZACIVSA-N
MW402.46 g/mol
LogP3.32
Rot. Bonds4

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

(3R)-4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869604) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is (3R)-4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869604
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name(3R)-4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCOc1ncccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C22H22N6O2/c1-14-13-30-11-10-28(14)19-12-17(16-4-3-7-24-22(16)29-2)15-5-8-23-21(20(15)26-19)18-6-9-25-27-18/h3-9,12,14H,10-11,13H2,1-2H3,(H,25,27)/t14-/m1/s1
InChIKeyIVJGSXVZFLQKOX-CQSZACIVSA-N
XLogP3.32
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.32
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-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869604) is (3R)-4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is COc1ncccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of (3R)-4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is IVJGSXVZFLQKOX-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-14-13-30-11-10-28(14)19-12-17(16-4-3-7-24-22(16)29-2)15-5-8-23-21(20(15)26-19)18-6-9-25-27-18/h3-9,12,14H,10-11,13H2,1-2H3,(H,25,27)/t14-/m1/s1.
What are the key properties of (3R)-4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 402.46 g/mol, XLogP of 3.32, 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-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).