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

C20H26N5O2P — CID 118869117

IUPAC(3R)-4-[4-diethylphosphoryl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCCP(=O)(CC)c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C20H26N5O2P/c1-4-28(26,5-2)17-12-18(25-10-11-27-13-14(25)3)23-19-15(17)6-8-21-20(19)16-7-9-22-24-16/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyHNWSYLDEOJLWRQ-CQSZACIVSA-N
MW399.44 g/mol
LogP3.27
Rot. Bonds5

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

(3R)-4-[4-diethylphosphoryl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869117) has the molecular formula C20H26N5O2P and a molecular weight of 399.44 g/mol. Its IUPAC name is (3R)-4-[4-diethylphosphoryl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-diethylphosphoryl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869117
Molecular FormulaC20H26N5O2P
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name(3R)-4-[4-diethylphosphoryl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCCP(=O)(CC)c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C20H26N5O2P/c1-4-28(26,5-2)17-12-18(25-10-11-27-13-14(25)3)23-19-15(17)6-8-21-20(19)16-7-9-22-24-16/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyHNWSYLDEOJLWRQ-CQSZACIVSA-N
XLogP3.27
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-diethylphosphoryl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-diethylphosphoryl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869117) is (3R)-4-[4-diethylphosphoryl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-diethylphosphoryl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-diethylphosphoryl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is CCP(=O)(CC)c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of (3R)-4-[4-diethylphosphoryl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is HNWSYLDEOJLWRQ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N5O2P/c1-4-28(26,5-2)17-12-18(25-10-11-27-13-14(25)3)23-19-15(17)6-8-21-20(19)16-7-9-22-24-16/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (3R)-4-[4-diethylphosphoryl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-diethylphosphoryl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 399.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-diethylphosphoryl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).