[3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol

C24H23N5O2 — CID 163762456

IUPAC[3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol
SMILESC=C1COCCN1c1cc(-c2cccc(CO)c2)c2c(C)cnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C24H23N5O2/c1-15-12-25-23(20-6-7-26-28-20)24-22(15)19(18-5-3-4-17(10-18)13-30)11-21(27-24)29-8-9-31-14-16(29)2/h3-7,10-12,30H,2,8-9,13-14H2,1H3,(H,26,28)
InChIKeyLZIRGZZCOXKPEZ-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.84
Rot. Bonds4

About [3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol

[3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol (PubChem CID 163762456) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is [3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol
PubChem CID163762456
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name[3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol
SMILESC=C1COCCN1c1cc(-c2cccc(CO)c2)c2c(C)cnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C24H23N5O2/c1-15-12-25-23(20-6-7-26-28-20)24-22(15)19(18-5-3-4-17(10-18)13-30)11-21(27-24)29-8-9-31-14-16(29)2/h3-7,10-12,30H,2,8-9,13-14H2,1H3,(H,26,28)
InChIKeyLZIRGZZCOXKPEZ-UHFFFAOYSA-N
XLogP3.84
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol?
The IUPAC name of [3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol (CID 163762456) is [3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol?
The canonical SMILES for [3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol is C=C1COCCN1c1cc(-c2cccc(CO)c2)c2c(C)cnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of [3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol?
The InChIKey is LZIRGZZCOXKPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-12-25-23(20-6-7-26-28-20)24-22(15)19(18-5-3-4-17(10-18)13-30)11-21(27-24)29-8-9-31-14-16(29)2/h3-7,10-12,30H,2,8-9,13-14H2,1H3,(H,26,28).
What are the key properties of [3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol?
[3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol has a molecular weight of 413.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol is sourced from PubChem (CID 163762456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).