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

C24H24FN5O — CID 137374255

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

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

7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline (PubChem CID 137374255) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline.

Molecular Properties

Compound Name7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline
PubChem CID137374255
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline
SMILESCOc1cc2ccc(-c3nc(C)ccc3-c3cnn(CC4(F)CCCC4)c3)cc2nn1
InChIInChI=1S/C24H24FN5O/c1-16-5-8-20(19-13-26-30(14-19)15-24(25)9-3-4-10-24)23(27-16)18-7-6-17-12-22(31-2)29-28-21(17)11-18/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyHKRCUKAMVIATJX-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline with MolForge

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
Mardepodect hydrochloride
CID 122412737
4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11196622
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426
2-[(4-(2-Methyl-4-(pyridin-4-yl)-2H-pyrazol-3-yl)phenoxy)methyl]quinoline
CID 11668304
Dihydropyrrolopyrazole, 7f
CID 21992672
4-Methoxy-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11604203
6-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 11669507
2-[[4-[1-(2-(18F)fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 46893367
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 57400861

Frequently Asked Questions

What is the IUPAC name of 7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline?
The IUPAC name of 7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline (CID 137374255) is 7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline.
What is the SMILES notation for 7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline?
The canonical SMILES for 7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline is COc1cc2ccc(-c3nc(C)ccc3-c3cnn(CC4(F)CCCC4)c3)cc2nn1.
What is the InChIKey of 7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline?
The InChIKey is HKRCUKAMVIATJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-16-5-8-20(19-13-26-30(14-19)15-24(25)9-3-4-10-24)23(27-16)18-7-6-17-12-22(31-2)29-28-21(17)11-18/h5-8,11-14H,3-4,9-10,15H2,1-2H3.
What are the key properties of 7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline?
7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline has a molecular weight of 417.49 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline is sourced from PubChem (CID 137374255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).