3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide

C22H19FN6O2 — CID 118240665

IUPAC3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1nc2c(C(N)=O)cccn2c1-c1nc2c(c(NCc3cccc(F)c3)n1)COC2
InChIInChI=1S/C22H19FN6O2/c1-12-18(29-7-3-6-15(19(24)30)22(29)26-12)21-27-17-11-31-10-16(17)20(28-21)25-9-13-4-2-5-14(23)8-13/h2-8H,9-11H2,1H3,(H2,24,30)(H,25,27,28)
InChIKeyKWVJBNYXCXGYSK-UHFFFAOYSA-N
MW418.43 g/mol
LogP2.98
Rot. Bonds5

About 3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide

3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 118240665) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID118240665
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1nc2c(C(N)=O)cccn2c1-c1nc2c(c(NCc3cccc(F)c3)n1)COC2
InChIInChI=1S/C22H19FN6O2/c1-12-18(29-7-3-6-15(19(24)30)22(29)26-12)21-27-17-11-31-10-16(17)20(28-21)25-9-13-4-2-5-14(23)8-13/h2-8H,9-11H2,1H3,(H2,24,30)(H,25,27,28)
InChIKeyKWVJBNYXCXGYSK-UHFFFAOYSA-N
XLogP2.98
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide (CID 118240665) is 3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide is Cc1nc2c(C(N)=O)cccn2c1-c1nc2c(c(NCc3cccc(F)c3)n1)COC2.
What is the InChIKey of 3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is KWVJBNYXCXGYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-12-18(29-7-3-6-15(19(24)30)22(29)26-12)21-27-17-11-31-10-16(17)20(28-21)25-9-13-4-2-5-14(23)8-13/h2-8H,9-11H2,1H3,(H2,24,30)(H,25,27,28).
What are the key properties of 3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 118240665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).