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

C22H25N9O2 — CID 178015819

IUPACN-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
SMILESC[C@@H]1COCCN1c1cc(-c2ccnn2C)c2c(NC(=O)C3CC3)nn(-c3ccn[nH]3)c2n1
InChIInChI=1S/C22H25N9O2/c1-13-12-33-10-9-30(13)18-11-15(16-5-8-24-29(16)2)19-20(26-22(32)14-3-4-14)28-31(21(19)25-18)17-6-7-23-27-17/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H,23,27)(H,26,28,32)/t13-/m1/s1
InChIKeyAUGWVIIFGFCLQC-CYBMUJFWSA-N
MW447.50 g/mol
LogP2.12
Rot. Bonds5

About 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

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 (PubChem CID 178015819) has the molecular formula C22H25N9O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
PubChem CID178015819
Molecular FormulaC22H25N9O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC NameN-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
SMILESC[C@@H]1COCCN1c1cc(-c2ccnn2C)c2c(NC(=O)C3CC3)nn(-c3ccn[nH]3)c2n1
InChIInChI=1S/C22H25N9O2/c1-13-12-33-10-9-30(13)18-11-15(16-5-8-24-29(16)2)19-20(26-22(32)14-3-4-14)28-31(21(19)25-18)17-6-7-23-27-17/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H,23,27)(H,26,28,32)/t13-/m1/s1
InChIKeyAUGWVIIFGFCLQC-CYBMUJFWSA-N
XLogP2.12
TPSA118.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
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
6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonylphenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178066128
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
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
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900
1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone
CID 170928633
(3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
CID 175136170
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
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
(3R)-4-[5-fluoro-4,7-bis(2-methylpyrazol-3-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 170224825

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2c(NC(=O)C3CC3)nn(-c3ccn[nH]3)c2n1.
What is the InChIKey of 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?
The InChIKey is AUGWVIIFGFCLQC-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H25N9O2/c1-13-12-33-10-9-30(13)18-11-15(16-5-8-24-29(16)2)19-20(26-22(32)14-3-4-14)28-31(21(19)25-18)17-6-7-23-27-17/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H,23,27)(H,26,28,32)/t13-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 447.50 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178015819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).