1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine

C20H18F2N6 — CID 67470431

IUPAC1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCc1ccc(F)c(-c2cc(Nc3ccnc4cnn(CCF)c34)c(C)cn2)n1
InChIInChI=1S/C20H18F2N6/c1-12-10-24-17(19-14(22)4-3-13(2)26-19)9-16(12)27-15-5-7-23-18-11-25-28(8-6-21)20(15)18/h3-5,7,9-11H,6,8H2,1-2H3,(H,23,24,27)
InChIKeyGLZHSIFCOHFENH-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.36
Rot. Bonds5

About 1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine

1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 67470431) has the molecular formula C20H18F2N6 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine
PubChem CID67470431
Molecular FormulaC20H18F2N6
Molecular Weight380.40 g/mol
Exact Mass380.16
IUPAC Name1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCc1ccc(F)c(-c2cc(Nc3ccnc4cnn(CCF)c34)c(C)cn2)n1
InChIInChI=1S/C20H18F2N6/c1-12-10-24-17(19-14(22)4-3-13(2)26-19)9-16(12)27-15-5-7-23-18-11-25-28(8-6-21)20(15)18/h3-5,7,9-11H,6,8H2,1-2H3,(H,23,24,27)
InChIKeyGLZHSIFCOHFENH-UHFFFAOYSA-N
XLogP4.36
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of 1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine (CID 67470431) is 1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for 1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine is Cc1ccc(F)c(-c2cc(Nc3ccnc4cnn(CCF)c34)c(C)cn2)n1.
What is the InChIKey of 1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is GLZHSIFCOHFENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6/c1-12-10-24-17(19-14(22)4-3-13(2)26-19)9-16(12)27-15-5-7-23-18-11-25-28(8-6-21)20(15)18/h3-5,7,9-11H,6,8H2,1-2H3,(H,23,24,27).
What are the key properties of 1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine?
1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 380.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 67470431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).