(3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride

C21H23ClN6O — CID 156699429

IUPAC(3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride
SMILESC[C@@H]1COCCN1c1ccc2c(n1)c(-c1ccn[nH]1)nn2Cc1ccccc1.Cl
InChIInChI=1S/C21H22N6O.ClH/c1-15-14-28-12-11-26(15)19-8-7-18-21(23-19)20(17-9-10-22-24-17)25-27(18)13-16-5-3-2-4-6-16;/h2-10,15H,11-14H2,1H3,(H,22,24);1H/t15-;/m1./s1
InChIKeyLEPHQRFZBOVPDT-XFULWGLBSA-N
MW410.91 g/mol
LogP3.52
Rot. Bonds4

About (3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride

(3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride (PubChem CID 156699429) has the molecular formula C21H23ClN6O and a molecular weight of 410.91 g/mol. Its IUPAC name is (3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride.

Molecular Properties

Compound Name(3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride
PubChem CID156699429
Molecular FormulaC21H23ClN6O
Molecular Weight410.91 g/mol
Exact Mass410.16
IUPAC Name(3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride
SMILESC[C@@H]1COCCN1c1ccc2c(n1)c(-c1ccn[nH]1)nn2Cc1ccccc1.Cl
InChIInChI=1S/C21H22N6O.ClH/c1-15-14-28-12-11-26(15)19-8-7-18-21(23-19)20(17-9-10-22-24-17)25-27(18)13-16-5-3-2-4-6-16;/h2-10,15H,11-14H2,1H3,(H,22,24);1H/t15-;/m1./s1
InChIKeyLEPHQRFZBOVPDT-XFULWGLBSA-N
XLogP3.52
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile
CID 150118551
(3R)-3-methyl-4-[1-methyl-7-(oxolan-3-yl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
CID 156699437
2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine
CID 134446532
2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone
CID 156699447
(3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
CID 151175498
(3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 138610653
4-[4-isoquinolin-4-yl-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230357
(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-fluoro-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020320
4-[4-(6-fluoro-2-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446437
4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol
CID 175910831
ethoxy-dihydroxy-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phosphanium
CID 175221055
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride?
The IUPAC name of (3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride (CID 156699429) is (3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride.
What is the SMILES notation for (3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride?
The canonical SMILES for (3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride is C[C@@H]1COCCN1c1ccc2c(n1)c(-c1ccn[nH]1)nn2Cc1ccccc1.Cl.
What is the InChIKey of (3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride?
The InChIKey is LEPHQRFZBOVPDT-XFULWGLBSA-N. The full InChI is InChI=1S/C21H22N6O.ClH/c1-15-14-28-12-11-26(15)19-8-7-18-21(23-19)20(17-9-10-22-24-17)25-27(18)13-16-5-3-2-4-6-16;/h2-10,15H,11-14H2,1H3,(H,22,24);1H/t15-;/m1./s1.
What are the key properties of (3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride?
(3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride has a molecular weight of 410.91 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride is sourced from PubChem (CID 156699429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).