1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine

C14H11ClF3N5 — CID 4007023

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine
SMILESCc1cc(N)nc2c1c(C)nn2-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11ClF3N5/c1-6-3-10(19)21-13-11(6)7(2)22-23(13)12-9(15)4-8(5-20-12)14(16,17)18/h3-5H,1-2H3,(H2,19,21)
InChIKeyDMXUTZQXWJZTAH-UHFFFAOYSA-N
MW341.72 g/mol
LogP3.69
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine (PubChem CID 4007023) has the molecular formula C14H11ClF3N5 and a molecular weight of 341.72 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine
PubChem CID4007023
Molecular FormulaC14H11ClF3N5
Molecular Weight341.72 g/mol
Exact Mass341.07
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine
SMILESCc1cc(N)nc2c1c(C)nn2-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11ClF3N5/c1-6-3-10(19)21-13-11(6)7(2)22-23(13)12-9(15)4-8(5-20-12)14(16,17)18/h3-5H,1-2H3,(H2,19,21)
InChIKeyDMXUTZQXWJZTAH-UHFFFAOYSA-N
XLogP3.69
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine (CID 4007023) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine is Cc1cc(N)nc2c1c(C)nn2-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The InChIKey is DMXUTZQXWJZTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N5/c1-6-3-10(19)21-13-11(6)7(2)22-23(13)12-9(15)4-8(5-20-12)14(16,17)18/h3-5H,1-2H3,(H2,19,21).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 341.72 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 4007023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).