2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C34H37F4N5 — CID 167256149

IUPAC2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CCC(C)CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(C1=NC=C(C(F)(F)F)CC1F)CC2
InChIInChI=1S/C34H37F4N5/c1-4-21(3)9-10-23-8-6-7-22(5-2)31(23)43-32(25-11-12-29-24(17-25)13-15-39-29)27-20-42(16-14-30(27)41-43)33-28(35)18-26(19-40-33)34(36,37)38/h6-8,11-13,15,17,19,21,28,39H,4-5,9-10,14,16,18,20H2,1-3H3
InChIKeyAANFJUCYHVPUML-UHFFFAOYSA-N
MW591.70 g/mol
LogP8.51
Rot. Bonds7

About 2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 167256149) has the molecular formula C34H37F4N5 and a molecular weight of 591.70 g/mol. Its IUPAC name is 2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID167256149
Molecular FormulaC34H37F4N5
Molecular Weight591.70 g/mol
Exact Mass591.30
IUPAC Name2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CCC(C)CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(C1=NC=C(C(F)(F)F)CC1F)CC2
InChIInChI=1S/C34H37F4N5/c1-4-21(3)9-10-23-8-6-7-22(5-2)31(23)43-32(25-11-12-29-24(17-25)13-15-39-29)27-20-42(16-14-30(27)41-43)33-28(35)18-26(19-40-33)34(36,37)38/h6-8,11-13,15,17,19,21,28,39H,4-5,9-10,14,16,18,20H2,1-3H3
InChIKeyAANFJUCYHVPUML-UHFFFAOYSA-N
XLogP8.51
TPSA49.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.70
LogP ≤ 58.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 167256149) is 2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCc1cccc(CCC(C)CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(C1=NC=C(C(F)(F)F)CC1F)CC2.
What is the InChIKey of 2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is AANFJUCYHVPUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F4N5/c1-4-21(3)9-10-23-8-6-7-22(5-2)31(23)43-32(25-11-12-29-24(17-25)13-15-39-29)27-20-42(16-14-30(27)41-43)33-28(35)18-26(19-40-33)34(36,37)38/h6-8,11-13,15,17,19,21,28,39H,4-5,9-10,14,16,18,20H2,1-3H3.
What are the key properties of 2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 591.70 g/mol, XLogP of 8.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-6-(3-methylpentyl)phenyl]-5-[3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]-3-(1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 167256149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).