N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine

C14H10FN5O — CID 134190222

IUPACN-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine
SMILESCc1noc2ccc(Nc3n[nH]c4cc(F)cnc34)cc12
InChIInChI=1S/C14H10FN5O/c1-7-10-5-9(2-3-12(10)21-20-7)17-14-13-11(18-19-14)4-8(15)6-16-13/h2-6H,1H3,(H2,17,18,19)
InChIKeySEWTUAMNGASPPB-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.29
Rot. Bonds2

About N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine

N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine (PubChem CID 134190222) has the molecular formula C14H10FN5O and a molecular weight of 283.27 g/mol. Its IUPAC name is N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine
PubChem CID134190222
Molecular FormulaC14H10FN5O
Molecular Weight283.27 g/mol
Exact Mass283.09
IUPAC NameN-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine
SMILESCc1noc2ccc(Nc3n[nH]c4cc(F)cnc34)cc12
InChIInChI=1S/C14H10FN5O/c1-7-10-5-9(2-3-12(10)21-20-7)17-14-13-11(18-19-14)4-8(15)6-16-13/h2-6H,1H3,(H2,17,18,19)
InChIKeySEWTUAMNGASPPB-UHFFFAOYSA-N
XLogP3.29
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine?
The IUPAC name of N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine (CID 134190222) is N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine.
What is the SMILES notation for N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine?
The canonical SMILES for N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine is Cc1noc2ccc(Nc3n[nH]c4cc(F)cnc34)cc12.
What is the InChIKey of N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine?
The InChIKey is SEWTUAMNGASPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O/c1-7-10-5-9(2-3-12(10)21-20-7)17-14-13-11(18-19-14)4-8(15)6-16-13/h2-6H,1H3,(H2,17,18,19).
What are the key properties of N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine?
N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine has a molecular weight of 283.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-yl)-3-methyl-1,2-benzoxazol-5-amine is sourced from PubChem (CID 134190222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).