9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole

C38H25F3N4 — CID 90392892

IUPAC9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole
SMILESFC(F)(F)C1C=C(c2cccc(-n3c4ccccc4c4cccnc43)c2)N=C(c2cccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C38H25F3N4/c39-38(40,41)28-22-34(26-10-5-11-29(21-26)45-36-16-4-3-12-30(36)31-13-7-19-42-37(31)45)44-35(23-28)33-15-6-14-32(43-33)27-18-17-24-8-1-2-9-25(24)20-27/h1-22,28H,23H2
InChIKeyOOWDLVMQLABARZ-UHFFFAOYSA-N
MW594.64 g/mol
LogP9.81
Rot. Bonds4

About 9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole

9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole (PubChem CID 90392892) has the molecular formula C38H25F3N4 and a molecular weight of 594.64 g/mol. Its IUPAC name is 9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole
PubChem CID90392892
Molecular FormulaC38H25F3N4
Molecular Weight594.64 g/mol
Exact Mass594.20
IUPAC Name9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole
SMILESFC(F)(F)C1C=C(c2cccc(-n3c4ccccc4c4cccnc43)c2)N=C(c2cccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C38H25F3N4/c39-38(40,41)28-22-34(26-10-5-11-29(21-26)45-36-16-4-3-12-30(36)31-13-7-19-42-37(31)45)44-35(23-28)33-15-6-14-32(43-33)27-18-17-24-8-1-2-9-25(24)20-27/h1-22,28H,23H2
InChIKeyOOWDLVMQLABARZ-UHFFFAOYSA-N
XLogP9.81
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.64
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole?
The IUPAC name of 9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole (CID 90392892) is 9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole is FC(F)(F)C1C=C(c2cccc(-n3c4ccccc4c4cccnc43)c2)N=C(c2cccc(-c3ccc4ccccc4c3)n2)C1.
What is the InChIKey of 9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole?
The InChIKey is OOWDLVMQLABARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25F3N4/c39-38(40,41)28-22-34(26-10-5-11-29(21-26)45-36-16-4-3-12-30(36)31-13-7-19-42-37(31)45)44-35(23-28)33-15-6-14-32(43-33)27-18-17-24-8-1-2-9-25(24)20-27/h1-22,28H,23H2.
What are the key properties of 9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole?
9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole has a molecular weight of 594.64 g/mol, XLogP of 9.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-(6-naphthalen-2-yl-2-pyridinyl)-4-(trifluoromethyl)-3,4-dihydropyridin-6-yl]phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 90392892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).