7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline

C24H24FN5O — CID 137374263

IUPAC7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline
SMILESCOc1cc2ccc(-c3nc(F)ccc3-c3cnn(CC4(C)CCCC4)c3)cc2nn1
InChIInChI=1S/C24H24FN5O/c1-24(9-3-4-10-24)15-30-14-18(13-26-30)19-7-8-21(25)27-23(19)17-6-5-16-12-22(31-2)29-28-20(16)11-17/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyWRDYTUVIHVSSNE-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.28
Rot. Bonds5

About 7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline

7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline (PubChem CID 137374263) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline.

Molecular Properties

Compound Name7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline
PubChem CID137374263
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline
SMILESCOc1cc2ccc(-c3nc(F)ccc3-c3cnn(CC4(C)CCCC4)c3)cc2nn1
InChIInChI=1S/C24H24FN5O/c1-24(9-3-4-10-24)15-30-14-18(13-26-30)19-7-8-21(25)27-23(19)17-6-5-16-12-22(31-2)29-28-20(16)11-17/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyWRDYTUVIHVSSNE-UHFFFAOYSA-N
XLogP5.28
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline?
The IUPAC name of 7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline (CID 137374263) is 7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline.
What is the SMILES notation for 7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline?
The canonical SMILES for 7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline is COc1cc2ccc(-c3nc(F)ccc3-c3cnn(CC4(C)CCCC4)c3)cc2nn1.
What is the InChIKey of 7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline?
The InChIKey is WRDYTUVIHVSSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-24(9-3-4-10-24)15-30-14-18(13-26-30)19-7-8-21(25)27-23(19)17-6-5-16-12-22(31-2)29-28-20(16)11-17/h5-8,11-14H,3-4,9-10,15H2,1-2H3.
What are the key properties of 7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline?
7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline has a molecular weight of 417.49 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-fluoro-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-methoxycinnoline is sourced from PubChem (CID 137374263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).