7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline

C24H23FN4 — CID 137371499

IUPAC7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline
SMILESCc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3cc(F)cnc3c2)n1
InChIInChI=1S/C24H23FN4/c1-16-6-9-22(20-12-27-29(15-20)14-17-4-2-3-5-17)24(28-16)19-8-7-18-10-21(25)13-26-23(18)11-19/h6-13,15,17H,2-5,14H2,1H3
InChIKeyIPVYHQLNVWDCBD-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.80
Rot. Bonds4

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

7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline (PubChem CID 137371499) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline.

Molecular Properties

Compound Name7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline
PubChem CID137371499
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC Name7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline
SMILESCc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3cc(F)cnc3c2)n1
InChIInChI=1S/C24H23FN4/c1-16-6-9-22(20-12-27-29(15-20)14-17-4-2-3-5-17)24(28-16)19-8-7-18-10-21(25)13-26-23(18)11-19/h6-13,15,17H,2-5,14H2,1H3
InChIKeyIPVYHQLNVWDCBD-UHFFFAOYSA-N
XLogP5.80
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 ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline?
The IUPAC name of 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline (CID 137371499) is 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline.
What is the SMILES notation for 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline?
The canonical SMILES for 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline is Cc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3cc(F)cnc3c2)n1.
What is the InChIKey of 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline?
The InChIKey is IPVYHQLNVWDCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c1-16-6-9-22(20-12-27-29(15-20)14-17-4-2-3-5-17)24(28-16)19-8-7-18-10-21(25)13-26-23(18)11-19/h6-13,15,17H,2-5,14H2,1H3.
What are the key properties of 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline?
7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline has a molecular weight of 386.47 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-3-fluoroquinoline is sourced from PubChem (CID 137371499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).