ethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate

C17H24N4O3 — CID 44561051

IUPACethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCn1ncc2c(NC3CCOCC3)c(C(=O)OCC)cnc21
InChIInChI=1S/C17H24N4O3/c1-3-7-21-16-13(11-19-21)15(20-12-5-8-23-9-6-12)14(10-18-16)17(22)24-4-2/h10-12H,3-9H2,1-2H3,(H,18,20)
InChIKeyCIBNFYLSLPKBCG-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.61
Rot. Bonds6

About ethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 44561051) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID44561051
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nameethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCn1ncc2c(NC3CCOCC3)c(C(=O)OCC)cnc21
InChIInChI=1S/C17H24N4O3/c1-3-7-21-16-13(11-19-21)15(20-12-5-8-23-9-6-12)14(10-18-16)17(22)24-4-2/h10-12H,3-9H2,1-2H3,(H,18,20)
InChIKeyCIBNFYLSLPKBCG-UHFFFAOYSA-N
XLogP2.61
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 44561051) is ethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate is CCCn1ncc2c(NC3CCOCC3)c(C(=O)OCC)cnc21.
What is the InChIKey of ethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is CIBNFYLSLPKBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-7-21-16-13(11-19-21)15(20-12-5-8-23-9-6-12)14(10-18-16)17(22)24-4-2/h10-12H,3-9H2,1-2H3,(H,18,20).
What are the key properties of ethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(oxan-4-ylamino)-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 44561051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).