methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate

C13H16N4O3 — CID 66828915

IUPACmethyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccnc(NC3CCOCC3)c12
InChIInChI=1S/C13H16N4O3/c1-19-13(18)11-10-9(16-17-11)2-5-14-12(10)15-8-3-6-20-7-4-8/h2,5,8H,3-4,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyNOOPYGWGFGEZOE-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.34
Rot. Bonds3

About methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate

methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 66828915) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID66828915
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Namemethyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccnc(NC3CCOCC3)c12
InChIInChI=1S/C13H16N4O3/c1-19-13(18)11-10-9(16-17-11)2-5-14-12(10)15-8-3-6-20-7-4-8/h2,5,8H,3-4,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyNOOPYGWGFGEZOE-UHFFFAOYSA-N
XLogP1.34
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 66828915) is methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate is COC(=O)c1n[nH]c2ccnc(NC3CCOCC3)c12.
What is the InChIKey of methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is NOOPYGWGFGEZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-19-13(18)11-10-9(16-17-11)2-5-14-12(10)15-8-3-6-20-7-4-8/h2,5,8H,3-4,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate?
methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 66828915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).