4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine

C23H20FN9 — CID 118217117

IUPAC4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCn1nccc1Nc1nccc(-c2ccn3c(Cc4nccc(C5CC5)c4F)nnc3c2)n1
InChIInChI=1S/C23H20FN9/c1-32-19(6-10-27-32)29-23-26-9-5-17(28-23)15-7-11-33-20(12-15)30-31-21(33)13-18-22(24)16(4-8-25-18)14-2-3-14/h4-12,14H,2-3,13H2,1H3,(H,26,28,29)
InChIKeyNGXJUQQJBKAQSB-UHFFFAOYSA-N
MW441.47 g/mol
LogP3.67
Rot. Bonds6

About 4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine

4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 118217117) has the molecular formula C23H20FN9 and a molecular weight of 441.47 g/mol. Its IUPAC name is 4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID118217117
Molecular FormulaC23H20FN9
Molecular Weight441.47 g/mol
Exact Mass441.18
IUPAC Name4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCn1nccc1Nc1nccc(-c2ccn3c(Cc4nccc(C5CC5)c4F)nnc3c2)n1
InChIInChI=1S/C23H20FN9/c1-32-19(6-10-27-32)29-23-26-9-5-17(28-23)15-7-11-33-20(12-15)30-31-21(33)13-18-22(24)16(4-8-25-18)14-2-3-14/h4-12,14H,2-3,13H2,1H3,(H,26,28,29)
InChIKeyNGXJUQQJBKAQSB-UHFFFAOYSA-N
XLogP3.67
TPSA98.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine (CID 118217117) is 4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine is Cn1nccc1Nc1nccc(-c2ccn3c(Cc4nccc(C5CC5)c4F)nnc3c2)n1.
What is the InChIKey of 4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is NGXJUQQJBKAQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN9/c1-32-19(6-10-27-32)29-23-26-9-5-17(28-23)15-7-11-33-20(12-15)30-31-21(33)13-18-22(24)16(4-8-25-18)14-2-3-14/h4-12,14H,2-3,13H2,1H3,(H,26,28,29).
What are the key properties of 4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 441.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-cyclopropyl-3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 118217117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).