5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine

C21H13FN8O — CID 145037325

IUPAC5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine
SMILESFc1c(-c2cncnc2)ncc2c1C(c1nc3c(-c4ccoc4)cncc3[nH]1)=NCN2
InChIInChI=1S/C21H13FN8O/c22-17-16-14(7-26-18(17)12-3-24-9-25-4-12)27-10-28-20(16)21-29-15-6-23-5-13(19(15)30-21)11-1-2-31-8-11/h1-9,27H,10H2,(H,29,30)
InChIKeySTSWRMVAMODRAT-UHFFFAOYSA-N
MW412.39 g/mol
LogP3.43
Rot. Bonds3

About 5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine

5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine (PubChem CID 145037325) has the molecular formula C21H13FN8O and a molecular weight of 412.39 g/mol. Its IUPAC name is 5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine
PubChem CID145037325
Molecular FormulaC21H13FN8O
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC Name5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine
SMILESFc1c(-c2cncnc2)ncc2c1C(c1nc3c(-c4ccoc4)cncc3[nH]1)=NCN2
InChIInChI=1S/C21H13FN8O/c22-17-16-14(7-26-18(17)12-3-24-9-25-4-12)27-10-28-20(16)21-29-15-6-23-5-13(19(15)30-21)11-1-2-31-8-11/h1-9,27H,10H2,(H,29,30)
InChIKeySTSWRMVAMODRAT-UHFFFAOYSA-N
XLogP3.43
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

Las-38096
CID 11716665
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
Roscovitine derivative 1
CID 73353575
6-(furan-2-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538801
4'-(2-furyl)-N-pyrazin-2-yl-4,5'-bipyrimidin-2'-amine
CID 11565927
4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyrimidin-2'-amine
CID 11638790
4''-(2-furyl)-N-pyrimidin-5-yl-4,5''-bipyrimidin-2''-amine
CID 11659696
5-(2-furyl)-6-pyrimidin-4-yl-3H-imidazo[4,5-b]pyridine
CID 11952504
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 11952665
5-(furan-2-yl)-6-(pyrimidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 11953248
2-[2-(4-fluorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025783
4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 25165372

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine?
The IUPAC name of 5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine (CID 145037325) is 5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine is Fc1c(-c2cncnc2)ncc2c1C(c1nc3c(-c4ccoc4)cncc3[nH]1)=NCN2.
What is the InChIKey of 5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine?
The InChIKey is STSWRMVAMODRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN8O/c22-17-16-14(7-26-18(17)12-3-24-9-25-4-12)27-10-28-20(16)21-29-15-6-23-5-13(19(15)30-21)11-1-2-31-8-11/h1-9,27H,10H2,(H,29,30).
What are the key properties of 5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine?
5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine has a molecular weight of 412.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 145037325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).