4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

C22H19ClFN7O — CID 139415512

IUPAC4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2nc(Cl)c3c(n2)N(c2ccc(F)cc2)CC3)cnc1-n1cnc(C)c1
InChIInChI=1S/C22H19ClFN7O/c1-13-11-30(12-26-13)21-18(32-2)9-15(10-25-21)27-22-28-19(23)17-7-8-31(20(17)29-22)16-5-3-14(24)4-6-16/h3-6,9-12H,7-8H2,1-2H3,(H,27,28,29)
InChIKeyYPNORZPRXBPJFD-UHFFFAOYSA-N
MW451.89 g/mol
LogP4.60
Rot. Bonds5

About 4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 139415512) has the molecular formula C22H19ClFN7O and a molecular weight of 451.89 g/mol. Its IUPAC name is 4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID139415512
Molecular FormulaC22H19ClFN7O
Molecular Weight451.89 g/mol
Exact Mass451.13
IUPAC Name4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2nc(Cl)c3c(n2)N(c2ccc(F)cc2)CC3)cnc1-n1cnc(C)c1
InChIInChI=1S/C22H19ClFN7O/c1-13-11-30(12-26-13)21-18(32-2)9-15(10-25-21)27-22-28-19(23)17-7-8-31(20(17)29-22)16-5-3-14(24)4-6-16/h3-6,9-12H,7-8H2,1-2H3,(H,27,28,29)
InChIKeyYPNORZPRXBPJFD-UHFFFAOYSA-N
XLogP4.60
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.89
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (CID 139415512) is 4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is COc1cc(Nc2nc(Cl)c3c(n2)N(c2ccc(F)cc2)CC3)cnc1-n1cnc(C)c1.
What is the InChIKey of 4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is YPNORZPRXBPJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN7O/c1-13-11-30(12-26-13)21-18(32-2)9-15(10-25-21)27-22-28-19(23)17-7-8-31(20(17)29-22)16-5-3-14(24)4-6-16/h3-6,9-12H,7-8H2,1-2H3,(H,27,28,29).
What are the key properties of 4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 451.89 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(4-fluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 139415512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).