7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine

C29H23F2N5 — CID 158093388

IUPAC7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine
SMILESCCCCn1cc(-c2cnc3ccc(C4=C(c5ccc(F)c(F)c5)Cc5cccnc54)nc3c2)cn1
InChIInChI=1S/C29H23F2N5/c1-2-3-11-36-17-21(16-34-36)20-14-27-25(33-15-20)8-9-26(35-27)28-22(12-19-5-4-10-32-29(19)28)18-6-7-23(30)24(31)13-18/h4-10,13-17H,2-3,11-12H2,1H3
InChIKeyFOJMOHDAEXQNKD-UHFFFAOYSA-N
MW479.53 g/mol
LogP6.48
Rot. Bonds6

About 7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine

7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine (PubChem CID 158093388) has the molecular formula C29H23F2N5 and a molecular weight of 479.53 g/mol. Its IUPAC name is 7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine
PubChem CID158093388
Molecular FormulaC29H23F2N5
Molecular Weight479.53 g/mol
Exact Mass479.19
IUPAC Name7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine
SMILESCCCCn1cc(-c2cnc3ccc(C4=C(c5ccc(F)c(F)c5)Cc5cccnc54)nc3c2)cn1
InChIInChI=1S/C29H23F2N5/c1-2-3-11-36-17-21(16-34-36)20-14-27-25(33-15-20)8-9-26(35-27)28-22(12-19-5-4-10-32-29(19)28)18-6-7-23(30)24(31)13-18/h4-10,13-17H,2-3,11-12H2,1H3
InChIKeyFOJMOHDAEXQNKD-UHFFFAOYSA-N
XLogP6.48
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.53
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 447966
RepSox
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3-(4-Fluorophenyl)-1-methyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
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CID 54671256

Frequently Asked Questions

What is the IUPAC name of 7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine?
The IUPAC name of 7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine (CID 158093388) is 7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine.
What is the SMILES notation for 7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine?
The canonical SMILES for 7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine is CCCCn1cc(-c2cnc3ccc(C4=C(c5ccc(F)c(F)c5)Cc5cccnc54)nc3c2)cn1.
What is the InChIKey of 7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine?
The InChIKey is FOJMOHDAEXQNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N5/c1-2-3-11-36-17-21(16-34-36)20-14-27-25(33-15-20)8-9-26(35-27)28-22(12-19-5-4-10-32-29(19)28)18-6-7-23(30)24(31)13-18/h4-10,13-17H,2-3,11-12H2,1H3.
What are the key properties of 7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine?
7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine has a molecular weight of 479.53 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-butylpyrazol-4-yl)-2-[6-(3,4-difluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]-1,5-naphthyridine is sourced from PubChem (CID 158093388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).