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

C22H29N5O2 — CID 118869324

IUPAC3,3-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]butan-2-ol
SMILESC[C@@H]1COCCN1c1cc(C(C)(O)C(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C22H29N5O2/c1-14-13-29-11-10-27(14)18-12-16(22(5,28)21(2,3)4)15-6-8-23-20(19(15)25-18)17-7-9-24-26-17/h6-9,12,14,28H,10-11,13H2,1-5H3,(H,24,26)/t14-,22?/m1/s1
InChIKeyJEKFZLKMYTUJAS-HNNQXCQYSA-N
MW395.51 g/mol
LogP3.50
Rot. Bonds3

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

3,3-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]butan-2-ol (PubChem CID 118869324) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3,3-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]butan-2-ol
PubChem CID118869324
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3,3-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]butan-2-ol
SMILESC[C@@H]1COCCN1c1cc(C(C)(O)C(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C22H29N5O2/c1-14-13-29-11-10-27(14)18-12-16(22(5,28)21(2,3)4)15-6-8-23-20(19(15)25-18)17-7-9-24-26-17/h6-9,12,14,28H,10-11,13H2,1-5H3,(H,24,26)/t14-,22?/m1/s1
InChIKeyJEKFZLKMYTUJAS-HNNQXCQYSA-N
XLogP3.50
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]butan-2-ol?
The IUPAC name of 3,3-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]butan-2-ol (CID 118869324) is 3,3-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]butan-2-ol is C[C@@H]1COCCN1c1cc(C(C)(O)C(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of 3,3-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]butan-2-ol?
The InChIKey is JEKFZLKMYTUJAS-HNNQXCQYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-14-13-29-11-10-27(14)18-12-16(22(5,28)21(2,3)4)15-6-8-23-20(19(15)25-18)17-7-9-24-26-17/h6-9,12,14,28H,10-11,13H2,1-5H3,(H,24,26)/t14-,22?/m1/s1.
What are the key properties of 3,3-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]butan-2-ol?
3,3-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]butan-2-ol has a molecular weight of 395.51 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]butan-2-ol is sourced from PubChem (CID 118869324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).