3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol

C21H27N5O2 — CID 118869110

IUPAC3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol
SMILESCCC(O)(CC)c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C21H27N5O2/c1-4-21(27,5-2)16-12-18(26-10-11-28-13-14(26)3)24-19-15(16)6-8-22-20(19)17-7-9-23-25-17/h6-9,12,14,27H,4-5,10-11,13H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKeyLSPHVMBCHDZSAU-CQSZACIVSA-N
MW381.48 g/mol
LogP3.25
Rot. Bonds5

About 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol

3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol (PubChem CID 118869110) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol.

Molecular Properties

Compound Name3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol
PubChem CID118869110
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol
SMILESCCC(O)(CC)c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C21H27N5O2/c1-4-21(27,5-2)16-12-18(26-10-11-28-13-14(26)3)24-19-15(16)6-8-22-20(19)17-7-9-23-25-17/h6-9,12,14,27H,4-5,10-11,13H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKeyLSPHVMBCHDZSAU-CQSZACIVSA-N
XLogP3.25
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol?
The IUPAC name of 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol (CID 118869110) is 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol.
What is the SMILES notation for 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol?
The canonical SMILES for 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol is CCC(O)(CC)c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol?
The InChIKey is LSPHVMBCHDZSAU-CQSZACIVSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-4-21(27,5-2)16-12-18(26-10-11-28-13-14(26)3)24-19-15(16)6-8-22-20(19)17-7-9-23-25-17/h6-9,12,14,27H,4-5,10-11,13H2,1-3H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol?
3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol has a molecular weight of 381.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pentan-3-ol is sourced from PubChem (CID 118869110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).