7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline

C24H23FN4 — CID 137371545

IUPAC7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
SMILESCc1ccc(-c2cnn(C[C@H]3CC[C@@H](F)C3)c2)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C24H23FN4/c1-16-4-9-22(20-13-27-29(15-20)14-17-5-8-21(25)11-17)24(28-16)19-7-6-18-3-2-10-26-23(18)12-19/h2-4,6-7,9-10,12-13,15,17,21H,5,8,11,14H2,1H3/t17-,21+/m0/s1
InChIKeyBZBCRECJAJYRFY-LAUBAEHRSA-N
MW386.47 g/mol
LogP5.61
Rot. Bonds4

About 7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline

7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline (PubChem CID 137371545) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline.

Molecular Properties

Compound Name7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
PubChem CID137371545
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC Name7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
SMILESCc1ccc(-c2cnn(C[C@H]3CC[C@@H](F)C3)c2)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C24H23FN4/c1-16-4-9-22(20-13-27-29(15-20)14-17-5-8-21(25)11-17)24(28-16)19-7-6-18-3-2-10-26-23(18)12-19/h2-4,6-7,9-10,12-13,15,17,21H,5,8,11,14H2,1H3/t17-,21+/m0/s1
InChIKeyBZBCRECJAJYRFY-LAUBAEHRSA-N
XLogP5.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The IUPAC name of 7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline (CID 137371545) is 7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline.
What is the SMILES notation for 7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The canonical SMILES for 7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline is Cc1ccc(-c2cnn(C[C@H]3CC[C@@H](F)C3)c2)c(-c2ccc3cccnc3c2)n1.
What is the InChIKey of 7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The InChIKey is BZBCRECJAJYRFY-LAUBAEHRSA-N. The full InChI is InChI=1S/C24H23FN4/c1-16-4-9-22(20-13-27-29(15-20)14-17-5-8-21(25)11-17)24(28-16)19-7-6-18-3-2-10-26-23(18)12-19/h2-4,6-7,9-10,12-13,15,17,21H,5,8,11,14H2,1H3/t17-,21+/m0/s1.
What are the key properties of 7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline has a molecular weight of 386.47 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline is sourced from PubChem (CID 137371545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).