4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine

C21H16FN7 — CID 46992819

IUPAC4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESFc1ccccc1-n1cc(-c2ccnc(NCc3cnc4ccccn34)n2)cn1
InChIInChI=1S/C21H16FN7/c22-17-5-1-2-6-19(17)29-14-15(11-26-29)18-8-9-23-21(27-18)25-13-16-12-24-20-7-3-4-10-28(16)20/h1-12,14H,13H2,(H,23,25,27)
InChIKeySYCNGRLVSZHPMX-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.73
Rot. Bonds5

About 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine

4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 46992819) has the molecular formula C21H16FN7 and a molecular weight of 385.41 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine
PubChem CID46992819
Molecular FormulaC21H16FN7
Molecular Weight385.41 g/mol
Exact Mass385.15
IUPAC Name4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESFc1ccccc1-n1cc(-c2ccnc(NCc3cnc4ccccn34)n2)cn1
InChIInChI=1S/C21H16FN7/c22-17-5-1-2-6-19(17)29-14-15(11-26-29)18-8-9-23-21(27-18)25-13-16-12-24-20-7-3-4-10-28(16)20/h1-12,14H,13H2,(H,23,25,27)
InChIKeySYCNGRLVSZHPMX-UHFFFAOYSA-N
XLogP3.73
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine (CID 46992819) is 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine is Fc1ccccc1-n1cc(-c2ccnc(NCc3cnc4ccccn34)n2)cn1.
What is the InChIKey of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is SYCNGRLVSZHPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7/c22-17-5-1-2-6-19(17)29-14-15(11-26-29)18-8-9-23-21(27-18)25-13-16-12-24-20-7-3-4-10-28(16)20/h1-12,14H,13H2,(H,23,25,27).
What are the key properties of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine?
4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 385.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 46992819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).