7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine

C14H12ClN5O — CID 70886707

IUPAC7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine
SMILESCn1ncc2c(Cl)cc(C3CC=Cc4c(N)noc43)nc21
InChIInChI=1S/C14H12ClN5O/c1-20-14-9(6-17-20)10(15)5-11(18-14)7-3-2-4-8-12(7)21-19-13(8)16/h2,4-7H,3H2,1H3,(H2,16,19)
InChIKeyKESBKWVEPSDRHO-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.74
Rot. Bonds1

About 7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine

7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine (PubChem CID 70886707) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine
PubChem CID70886707
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine
SMILESCn1ncc2c(Cl)cc(C3CC=Cc4c(N)noc43)nc21
InChIInChI=1S/C14H12ClN5O/c1-20-14-9(6-17-20)10(15)5-11(18-14)7-3-2-4-8-12(7)21-19-13(8)16/h2,4-7H,3H2,1H3,(H2,16,19)
InChIKeyKESBKWVEPSDRHO-UHFFFAOYSA-N
XLogP2.74
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine?
The IUPAC name of 7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine (CID 70886707) is 7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine.
What is the SMILES notation for 7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine?
The canonical SMILES for 7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine is Cn1ncc2c(Cl)cc(C3CC=Cc4c(N)noc43)nc21.
What is the InChIKey of 7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine?
The InChIKey is KESBKWVEPSDRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-20-14-9(6-17-20)10(15)5-11(18-14)7-3-2-4-8-12(7)21-19-13(8)16/h2,4-7H,3H2,1H3,(H2,16,19).
What are the key properties of 7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine?
7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine has a molecular weight of 301.74 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-6,7-dihydro-1,2-benzoxazol-3-amine is sourced from PubChem (CID 70886707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).