3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide

C20H23N9O3 — CID 67220573

IUPAC3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide
SMILESCCn1ncc2c(Nc3ncccn3)c(C3=NOC(CC(=O)NC)(C(=O)NC)C3)cnc21
InChIInChI=1S/C20H23N9O3/c1-4-29-17-13(11-26-29)16(27-19-23-6-5-7-24-19)12(10-25-17)14-8-20(32-28-14,18(31)22-3)9-15(30)21-2/h5-7,10-11H,4,8-9H2,1-3H3,(H,21,30)(H,22,31)(H,23,24,25,27)
InChIKeySFJSGPXFHVTZNV-UHFFFAOYSA-N
MW437.46 g/mol
LogP0.73
Rot. Bonds7

About 3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide

3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide (PubChem CID 67220573) has the molecular formula C20H23N9O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is 3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide
PubChem CID67220573
Molecular FormulaC20H23N9O3
Molecular Weight437.46 g/mol
Exact Mass437.19
IUPAC Name3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide
SMILESCCn1ncc2c(Nc3ncccn3)c(C3=NOC(CC(=O)NC)(C(=O)NC)C3)cnc21
InChIInChI=1S/C20H23N9O3/c1-4-29-17-13(11-26-29)16(27-19-23-6-5-7-24-19)12(10-25-17)14-8-20(32-28-14,18(31)22-3)9-15(30)21-2/h5-7,10-11H,4,8-9H2,1-3H3,(H,21,30)(H,22,31)(H,23,24,25,27)
InChIKeySFJSGPXFHVTZNV-UHFFFAOYSA-N
XLogP0.73
TPSA148.31 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

methyl 3-[4-(cyclopentylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate
CID 67046022
5-(2,2-dihydroxy-5-oxa-2λ4-thia-6-azaspiro[3.4]oct-6-en-7-yl)-1-ethyl-N-phenylpyrazolo[3,4-b]pyridin-4-amine
CID 66732374
1-ethyl-5-(5-oxa-2-thia-6-azaspiro[3.4]oct-6-en-7-yl)-N-phenylpyrazolo[3,4-b]pyridin-4-amine
CID 66732911
1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-3-en-3-yl)-N-pyrimidin-2-ylpyrazolo[3,4-b]pyridin-4-amine
CID 90965291
1-[3-(4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-dimethylpropan-1-one
CID 66732381
3-[4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-5-N,5-N'-diethyl-4H-1,2-oxazole-5,5-dicarboxamide
CID 67220794
7-[4-[(1,1-dihydroxythian-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-oxa-6-azaspiro[3.4]oct-6-ene-2-carboxamide
CID 25106757
3-[[5-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclobutane-1-carboxylic acid
CID 25069420
5-N,5-N'-di(cyclobutyl)-3-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-4H-1,2-oxazole-5,5-dicarboxamide
CID 67220220
N-cyclohexyl-1-ethyl-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 66732523
N-(1-cyclopentylpiperidin-4-yl)-1-ethyl-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 66733050
4-[[5-[5,5-bis(pyrrolidine-1-carbonyl)-4H-1,2-oxazol-3-yl]-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexan-1-one
CID 25071971

Frequently Asked Questions

What is the IUPAC name of 3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide (CID 67220573) is 3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide is CCn1ncc2c(Nc3ncccn3)c(C3=NOC(CC(=O)NC)(C(=O)NC)C3)cnc21.
What is the InChIKey of 3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide?
The InChIKey is SFJSGPXFHVTZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O3/c1-4-29-17-13(11-26-29)16(27-19-23-6-5-7-24-19)12(10-25-17)14-8-20(32-28-14,18(31)22-3)9-15(30)21-2/h5-7,10-11H,4,8-9H2,1-3H3,(H,21,30)(H,22,31)(H,23,24,25,27).
What are the key properties of 3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide?
3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-ethyl-4-(pyrimidin-2-ylamino)pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-5-[2-(methylamino)-2-oxoethyl]-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 67220573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).