[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C21H22N8O3 — CID 22108607

IUPAC[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(OC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)C(=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C21H22N8O3/c1-10(2)29-19-14(7-26-29)13(6-15(27-19)12-4-5-12)21(31)32-11(3)20(30)28-18-16-17(23-8-22-16)24-9-25-18/h6-12H,4-5H2,1-3H3,(H2,22,23,24,25,28,30)
InChIKeyKYAWRBDNWQAKMB-UHFFFAOYSA-N
MW434.46 g/mol
LogP2.74
Rot. Bonds6

About [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 22108607) has the molecular formula C21H22N8O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID22108607
Molecular FormulaC21H22N8O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(OC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)C(=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C21H22N8O3/c1-10(2)29-19-14(7-26-29)13(6-15(27-19)12-4-5-12)21(31)32-11(3)20(30)28-18-16-17(23-8-22-16)24-9-25-18/h6-12H,4-5H2,1-3H3,(H2,22,23,24,25,28,30)
InChIKeyKYAWRBDNWQAKMB-UHFFFAOYSA-N
XLogP2.74
TPSA140.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

[1-oxo-1-(2-phenylanilino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43024349
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43024353
[(2S)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30826961
(2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42897722
[(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 1H-indole-3-carboxylate
CID 51645419
6-cyclopropyl-1-propan-2-yl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35034977
6-cyclopropyl-1-propan-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17492877
6-cyclopropyl-N-[(1R,2S)-2-fluorocyclopropyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 155957595
6-cyclopropyl-N-(2-hydroxypropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78855347
N-[4-(carbamoylamino)phenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 33152940
[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 3-aminopyrazine-2-carboxylate
CID 22108606
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120828271

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 22108607) is [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CC(OC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)C(=O)Nc1ncnc2nc[nH]c12.
What is the InChIKey of [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is KYAWRBDNWQAKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O3/c1-10(2)29-19-14(7-26-29)13(6-15(27-19)12-4-5-12)21(31)32-11(3)20(30)28-18-16-17(23-8-22-16)24-9-25-18/h6-12H,4-5H2,1-3H3,(H2,22,23,24,25,28,30).
What are the key properties of [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 434.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 22108607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).