2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone

C17H21N7O2 — CID 156699447

IUPAC2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone
SMILESC[C@@H]1COCCN1c1cc(C(=O)CN)c2c(n1)c(-c1ccn[nH]1)nn2C
InChIInChI=1S/C17H21N7O2/c1-10-9-26-6-5-24(10)14-7-11(13(25)8-18)17-16(20-14)15(22-23(17)2)12-3-4-19-21-12/h3-4,7,10H,5-6,8-9,18H2,1-2H3,(H,19,21)/t10-/m1/s1
InChIKeyHLYPVSINJDGMMI-SNVBAGLBSA-N
MW355.40 g/mol
LogP0.72
Rot. Bonds4

About 2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone

2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone (PubChem CID 156699447) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone
PubChem CID156699447
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone
SMILESC[C@@H]1COCCN1c1cc(C(=O)CN)c2c(n1)c(-c1ccn[nH]1)nn2C
InChIInChI=1S/C17H21N7O2/c1-10-9-26-6-5-24(10)14-7-11(13(25)8-18)17-16(20-14)15(22-23(17)2)12-3-4-19-21-12/h3-4,7,10H,5-6,8-9,18H2,1-2H3,(H,19,21)/t10-/m1/s1
InChIKeyHLYPVSINJDGMMI-SNVBAGLBSA-N
XLogP0.72
TPSA114.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(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
(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
2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine
CID 134446532
[5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 167020544
3-methylimino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]prop-1-en-1-amine
CID 174037628
4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile
CID 150118551
(3R)-4-[1-benzyl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine;hydrochloride
CID 156699429
ethoxy-dihydroxy-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phosphanium
CID 175221055
ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate
CID 159883617
(3R)-3-methyl-4-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869658
[3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium
CID 163496665
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone?
The IUPAC name of 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) is 2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone.
What is the SMILES notation for 2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone?
The canonical SMILES for 2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone is C[C@@H]1COCCN1c1cc(C(=O)CN)c2c(n1)c(-c1ccn[nH]1)nn2C.
What is the InChIKey of 2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone?
The InChIKey is HLYPVSINJDGMMI-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-10-9-26-6-5-24(10)14-7-11(13(25)8-18)17-16(20-14)15(22-23(17)2)12-3-4-19-21-12/h3-4,7,10H,5-6,8-9,18H2,1-2H3,(H,19,21)/t10-/m1/s1.
What are the key properties of 2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone?
2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone has a molecular weight of 355.40 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone is sourced from PubChem (CID 156699447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).