7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C22H16F2N10 — CID 146490623

IUPAC7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cnc2ccc(-c3c(-n4cc(F)cn4)nc(N)n4nc(Cc5ncccc5F)nc34)cn12
InChIInChI=1S/C22H16F2N10/c1-12-8-27-18-5-4-13(10-32(12)18)19-20(33-11-14(23)9-28-33)30-22(25)34-21(19)29-17(31-34)7-16-15(24)3-2-6-26-16/h2-6,8-11H,7H2,1H3,(H2,25,30)
InChIKeyXECCFMIBBHXKBJ-UHFFFAOYSA-N
MW458.44 g/mol
LogP2.78
Rot. Bonds4

About 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490623) has the molecular formula C22H16F2N10 and a molecular weight of 458.44 g/mol. Its IUPAC name is 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490623
Molecular FormulaC22H16F2N10
Molecular Weight458.44 g/mol
Exact Mass458.15
IUPAC Name7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cnc2ccc(-c3c(-n4cc(F)cn4)nc(N)n4nc(Cc5ncccc5F)nc34)cn12
InChIInChI=1S/C22H16F2N10/c1-12-8-27-18-5-4-13(10-32(12)18)19-20(33-11-14(23)9-28-33)30-22(25)34-21(19)29-17(31-34)7-16-15(24)3-2-6-26-16/h2-6,8-11H,7H2,1H3,(H2,25,30)
InChIKeyXECCFMIBBHXKBJ-UHFFFAOYSA-N
XLogP2.78
TPSA117.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490623) is 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cnc2ccc(-c3c(-n4cc(F)cn4)nc(N)n4nc(Cc5ncccc5F)nc34)cn12.
What is the InChIKey of 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is XECCFMIBBHXKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N10/c1-12-8-27-18-5-4-13(10-32(12)18)19-20(33-11-14(23)9-28-33)30-22(25)34-21(19)29-17(31-34)7-16-15(24)3-2-6-26-16/h2-6,8-11H,7H2,1H3,(H2,25,30).
What are the key properties of 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 458.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).