5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine

C19H15ClFN5O — CID 58485948

IUPAC5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ncnc2[nH]cc(Cc3ccc(Cc4ccc(Cl)nc4)nc3F)c12
InChIInChI=1S/C19H15ClFN5O/c1-27-19-16-13(9-23-18(16)24-10-25-19)7-12-3-4-14(26-17(12)21)6-11-2-5-15(20)22-8-11/h2-5,8-10H,6-7H2,1H3,(H,23,24,25)
InChIKeyAIPAQGZLEOJXKI-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.73
Rot. Bonds5

About 5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine

5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 58485948) has the molecular formula C19H15ClFN5O and a molecular weight of 383.81 g/mol. Its IUPAC name is 5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID58485948
Molecular FormulaC19H15ClFN5O
Molecular Weight383.81 g/mol
Exact Mass383.09
IUPAC Name5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ncnc2[nH]cc(Cc3ccc(Cc4ccc(Cl)nc4)nc3F)c12
InChIInChI=1S/C19H15ClFN5O/c1-27-19-16-13(9-23-18(16)24-10-25-19)7-12-3-4-14(26-17(12)21)6-11-2-5-15(20)22-8-11/h2-5,8-10H,6-7H2,1H3,(H,23,24,25)
InChIKeyAIPAQGZLEOJXKI-UHFFFAOYSA-N
XLogP3.73
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

Plx-5622
CID 52936034
6-Chloro-N4-[3,5-difluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,4-pyrimidinediamine
CID 11524200
Meriolin 3
CID 23727981
Meriolin 5
CID 23727982
Rwj-68354
CID 9819053
Meriolin 6
CID 24801185
Meriolin 4
CID 24801697
4-Chloranyl-7-[(4-Methoxy-3,5-Dimethyl-Pyridin-2-Yl)methyl]-5-(Phenylmethyl)pyrrolo[2,3-D]pyrimidin-2-Amine
CID 131704417
6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848
Meriolin 7
CID 24801186
8-(2-Aminopyrimidin-4-yl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-amine
CID 9922607
2-(4-Fluoro-phenyl)-4-(3-methoxy-benzyloxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-ylamine
CID 10789231

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine (CID 58485948) is 5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine is COc1ncnc2[nH]cc(Cc3ccc(Cc4ccc(Cl)nc4)nc3F)c12.
What is the InChIKey of 5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is AIPAQGZLEOJXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O/c1-27-19-16-13(9-23-18(16)24-10-25-19)7-12-3-4-14(26-17(12)21)6-11-2-5-15(20)22-8-11/h2-5,8-10H,6-7H2,1H3,(H,23,24,25).
What are the key properties of 5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 383.81 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[(6-chloro-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 58485948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).