methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate

C19H23N5O5 — CID 67046154

IUPACmethyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)CC1(C(=O)OC)CC(c2cnc3c(c(C)nn3C)c2NC2CC2)=NO1
InChIInChI=1S/C19H23N5O5/c1-10-15-16(21-11-5-6-11)12(9-20-17(15)24(2)22-10)13-7-19(29-23-13,18(26)28-4)8-14(25)27-3/h9,11H,5-8H2,1-4H3,(H,20,21)
InChIKeyPPLZCALECYWMET-UHFFFAOYSA-N
MW401.42 g/mol
LogP1.45
Rot. Bonds6

About methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate

methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate (PubChem CID 67046154) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate
PubChem CID67046154
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Namemethyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)CC1(C(=O)OC)CC(c2cnc3c(c(C)nn3C)c2NC2CC2)=NO1
InChIInChI=1S/C19H23N5O5/c1-10-15-16(21-11-5-6-11)12(9-20-17(15)24(2)22-10)13-7-19(29-23-13,18(26)28-4)8-14(25)27-3/h9,11H,5-8H2,1-4H3,(H,20,21)
InChIKeyPPLZCALECYWMET-UHFFFAOYSA-N
XLogP1.45
TPSA116.93 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate (CID 67046154) is methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate is COC(=O)CC1(C(=O)OC)CC(c2cnc3c(c(C)nn3C)c2NC2CC2)=NO1.
What is the InChIKey of methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate?
The InChIKey is PPLZCALECYWMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-10-15-16(21-11-5-6-11)12(9-20-17(15)24(2)22-10)13-7-19(29-23-13,18(26)28-4)8-14(25)27-3/h9,11H,5-8H2,1-4H3,(H,20,21).
What are the key properties of methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate?
methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate has a molecular weight of 401.42 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 67046154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).