4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one

C15H13N5O2 — CID 53374107

IUPAC4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C15H13N5O2/c1-20-11-7-9(4-5-12(11)22-8-13(20)21)17-15-14-10(18-19-15)3-2-6-16-14/h2-7H,8H2,1H3,(H2,17,18,19)
InChIKeyKYGSUBIAEPOSKM-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.06
Rot. Bonds2

About 4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one

4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one (PubChem CID 53374107) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one
PubChem CID53374107
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C15H13N5O2/c1-20-11-7-9(4-5-12(11)22-8-13(20)21)17-15-14-10(18-19-15)3-2-6-16-14/h2-7H,8H2,1H3,(H2,17,18,19)
InChIKeyKYGSUBIAEPOSKM-UHFFFAOYSA-N
XLogP2.06
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one (CID 53374107) is 4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one is CN1C(=O)COc2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of 4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one?
The InChIKey is KYGSUBIAEPOSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-20-11-7-9(4-5-12(11)22-8-13(20)21)17-15-14-10(18-19-15)3-2-6-16-14/h2-7H,8H2,1H3,(H2,17,18,19).
What are the key properties of 4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one?
4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one has a molecular weight of 295.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,4-benzoxazin-3-one is sourced from PubChem (CID 53374107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).