6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine

C21H23N7O3S — CID 178066128

IUPAC6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
SMILESC[C@@H]1COCCN1c1cc(-c2ccc(S(C)(=O)=O)cc2)c2c(N)nn(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H23N7O3S/c1-13-12-31-10-9-27(13)18-11-16(14-3-5-15(6-4-14)32(2,29)30)19-20(22)26-28(21(19)24-18)17-7-8-23-25-17/h3-8,11,13H,9-10,12H2,1-2H3,(H2,22,26)(H,23,25)/t13-/m1/s1
InChIKeyDFZWQRAEQPKDMW-CYBMUJFWSA-N
MW453.53 g/mol
LogP2.02
Rot. Bonds4

About 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine

6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 178066128) has the molecular formula C21H23N7O3S and a molecular weight of 453.53 g/mol. Its IUPAC name is 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
PubChem CID178066128
Molecular FormulaC21H23N7O3S
Molecular Weight453.53 g/mol
Exact Mass453.16
IUPAC Name6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
SMILESC[C@@H]1COCCN1c1cc(-c2ccc(S(C)(=O)=O)cc2)c2c(N)nn(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H23N7O3S/c1-13-12-31-10-9-27(13)18-11-16(14-3-5-15(6-4-14)32(2,29)30)19-20(22)26-28(21(19)24-18)17-7-8-23-25-17/h3-8,11,13H,9-10,12H2,1-2H3,(H2,22,26)(H,23,25)/t13-/m1/s1
InChIKeyDFZWQRAEQPKDMW-CYBMUJFWSA-N
XLogP2.02
TPSA132.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[3-amino-6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide
CID 178066142
6-[(3R)-3-methylmorpholin-4-yl]-4-(3-oxaspiro[5.5]undecan-9-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178066154
[3-(difluoromethoxy)-6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 176598529
N-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 178015819
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
5-fluoro-6-(3-methylmorpholin-4-yl)-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-3-amine
CID 178015745
methyl-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]imino-oxo-pyridin-4-yl-λ6-sulfane
CID 176598553
N-methyl-6-(3-methylmorpholin-4-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178015789
cyclopropyl-methyl-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]imino-oxo-λ6-sulfane
CID 175679888
ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate
CID 118890756
4-[4-(6-methoxy-3-pyridinyl)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-methylmorpholine
CID 155585638
4-(4-ethylcyclohexyl)-6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178015942

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine (CID 178066128) is 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine is C[C@@H]1COCCN1c1cc(-c2ccc(S(C)(=O)=O)cc2)c2c(N)nn(-c3ccn[nH]3)c2n1.
What is the InChIKey of 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is DFZWQRAEQPKDMW-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H23N7O3S/c1-13-12-31-10-9-27(13)18-11-16(14-3-5-15(6-4-14)32(2,29)30)19-20(22)26-28(21(19)24-18)17-7-8-23-25-17/h3-8,11,13H,9-10,12H2,1-2H3,(H2,22,26)(H,23,25)/t13-/m1/s1.
What are the key properties of 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 453.53 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 178066128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).