7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline

C24H23F2N5O — CID 137374134

IUPAC7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline
SMILESCOc1cc2ccc(-c3nc(C)ccc3-c3cnn(C(F)C4CCCC4)c3F)cc2nn1
InChIInChI=1S/C24H23F2N5O/c1-14-7-10-18(19-13-27-31(24(19)26)23(25)15-5-3-4-6-15)22(28-14)17-9-8-16-12-21(32-2)30-29-20(16)11-17/h7-13,15,23H,3-6H2,1-2H3
InChIKeyKUHUQNRWOASFKQ-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.67
Rot. Bonds5

About 7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline

7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline (PubChem CID 137374134) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is 7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline.

Molecular Properties

Compound Name7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline
PubChem CID137374134
Molecular FormulaC24H23F2N5O
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline
SMILESCOc1cc2ccc(-c3nc(C)ccc3-c3cnn(C(F)C4CCCC4)c3F)cc2nn1
InChIInChI=1S/C24H23F2N5O/c1-14-7-10-18(19-13-27-31(24(19)26)23(25)15-5-3-4-6-15)22(28-14)17-9-8-16-12-21(32-2)30-29-20(16)11-17/h7-13,15,23H,3-6H2,1-2H3
InChIKeyKUHUQNRWOASFKQ-UHFFFAOYSA-N
XLogP5.67
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline?
The IUPAC name of 7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline (CID 137374134) is 7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline.
What is the SMILES notation for 7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline?
The canonical SMILES for 7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline is COc1cc2ccc(-c3nc(C)ccc3-c3cnn(C(F)C4CCCC4)c3F)cc2nn1.
What is the InChIKey of 7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline?
The InChIKey is KUHUQNRWOASFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O/c1-14-7-10-18(19-13-27-31(24(19)26)23(25)15-5-3-4-6-15)22(28-14)17-9-8-16-12-21(32-2)30-29-20(16)11-17/h7-13,15,23H,3-6H2,1-2H3.
What are the key properties of 7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline?
7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline has a molecular weight of 435.48 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[1-[cyclopentyl(fluoro)methyl]-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-3-methoxycinnoline is sourced from PubChem (CID 137374134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).