N-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

C14H15ClN4S — CID 102976958

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NC(C)c3csc(Cl)c3)cc12
InChIInChI=1S/C14H15ClN4S/c1-8(10-4-13(15)20-7-10)17-11-5-12-9(2)18-19(3)14(12)16-6-11/h4-8,17H,1-3H3
InChIKeyRPNQPWQDGOQDTJ-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.16
Rot. Bonds3

About N-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

N-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (PubChem CID 102976958) has the molecular formula C14H15ClN4S and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
PubChem CID102976958
Molecular FormulaC14H15ClN4S
Molecular Weight306.82 g/mol
Exact Mass306.07
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NC(C)c3csc(Cl)c3)cc12
InChIInChI=1S/C14H15ClN4S/c1-8(10-4-13(15)20-7-10)17-11-5-12-9(2)18-19(3)14(12)16-6-11/h4-8,17H,1-3H3
InChIKeyRPNQPWQDGOQDTJ-UHFFFAOYSA-N
XLogP4.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (CID 102976958) is N-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is Cc1nn(C)c2ncc(NC(C)c3csc(Cl)c3)cc12.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is RPNQPWQDGOQDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S/c1-8(10-4-13(15)20-7-10)17-11-5-12-9(2)18-19(3)14(12)16-6-11/h4-8,17H,1-3H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
N-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 306.82 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 102976958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).