4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C20H21N5O2 — CID 118869108

IUPAC4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC1=C(c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)CCOC1
InChIInChI=1S/C20H21N5O2/c1-5-21-20(17-2-6-22-24-17)19-15(1)16(14-3-9-26-10-4-14)13-18(23-19)25-7-11-27-12-8-25/h1-3,5-6,13H,4,7-12H2,(H,22,24)
InChIKeyGMRQPDMTJUPQQZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.66
Rot. Bonds3

About 4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869108) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869108
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESC1=C(c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)CCOC1
InChIInChI=1S/C20H21N5O2/c1-5-21-20(17-2-6-22-24-17)19-15(1)16(14-3-9-26-10-4-14)13-18(23-19)25-7-11-27-12-8-25/h1-3,5-6,13H,4,7-12H2,(H,22,24)
InChIKeyGMRQPDMTJUPQQZ-UHFFFAOYSA-N
XLogP2.66
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869108) is 4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is C1=C(c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)CCOC1.
What is the InChIKey of 4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is GMRQPDMTJUPQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-5-21-20(17-2-6-22-24-17)19-15(1)16(14-3-9-26-10-4-14)13-18(23-19)25-7-11-27-12-8-25/h1-3,5-6,13H,4,7-12H2,(H,22,24).
What are the key properties of 4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 363.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,6-dihydro-2H-pyran-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).