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

C22H28N6O2 — CID 118890790

IUPAC[1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol
SMILESC[C@@H]1COCCN1c1cc(N2CCC(CO)CC2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C22H28N6O2/c1-15-14-30-11-10-28(15)20-12-19(27-8-4-16(13-29)5-9-27)17-2-6-23-22(21(17)25-20)18-3-7-24-26-18/h2-3,6-7,12,15-16,29H,4-5,8-11,13-14H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyMKRQUXZNVWJMND-OAHLLOKOSA-N
MW408.51 g/mol
LogP2.45
Rot. Bonds4

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

[1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol (PubChem CID 118890790) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol
PubChem CID118890790
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name[1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol
SMILESC[C@@H]1COCCN1c1cc(N2CCC(CO)CC2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C22H28N6O2/c1-15-14-30-11-10-28(15)20-12-19(27-8-4-16(13-29)5-9-27)17-2-6-23-22(21(17)25-20)18-3-7-24-26-18/h2-3,6-7,12,15-16,29H,4-5,8-11,13-14H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyMKRQUXZNVWJMND-OAHLLOKOSA-N
XLogP2.45
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol (CID 118890790) is [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol is C[C@@H]1COCCN1c1cc(N2CCC(CO)CC2)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol?
The InChIKey is MKRQUXZNVWJMND-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-15-14-30-11-10-28(15)20-12-19(27-8-4-16(13-29)5-9-27)17-2-6-23-22(21(17)25-20)18-3-7-24-26-18/h2-3,6-7,12,15-16,29H,4-5,8-11,13-14H2,1H3,(H,24,26)/t15-/m1/s1.
What are the key properties of [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol?
[1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol has a molecular weight of 408.51 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 118890790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).