4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole

C24H19F3N6 — CID 161016779

IUPAC4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole
SMILESFC(F)(F)c1cncc2nc(-c3ccnc4[nH]c5ccccc5c34)nc(N3CCCCC3)c12
InChIInChI=1S/C24H19F3N6/c25-24(26,27)16-12-28-13-18-20(16)23(33-10-4-1-5-11-33)32-21(31-18)15-8-9-29-22-19(15)14-6-2-3-7-17(14)30-22/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,29,30)
InChIKeyDWLCMFSOKILEHH-UHFFFAOYSA-N
MW448.45 g/mol
LogP5.73
Rot. Bonds2

About 4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole

4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole (PubChem CID 161016779) has the molecular formula C24H19F3N6 and a molecular weight of 448.45 g/mol. Its IUPAC name is 4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole
PubChem CID161016779
Molecular FormulaC24H19F3N6
Molecular Weight448.45 g/mol
Exact Mass448.16
IUPAC Name4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole
SMILESFC(F)(F)c1cncc2nc(-c3ccnc4[nH]c5ccccc5c34)nc(N3CCCCC3)c12
InChIInChI=1S/C24H19F3N6/c25-24(26,27)16-12-28-13-18-20(16)23(33-10-4-1-5-11-33)32-21(31-18)15-8-9-29-22-19(15)14-6-2-3-7-17(14)30-22/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,29,30)
InChIKeyDWLCMFSOKILEHH-UHFFFAOYSA-N
XLogP5.73
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.45
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole with MolForge

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Related Compounds

N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388816
(3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 118388589
N-[(4S)-3,3-dimethylpiperidin-4-yl]-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine;ethane
CID 144934856
2-amino-4-[methyl-[2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 118388826
4-[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-5-cyclobutylpyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole
CID 118410193
4-(5-cyclopentyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-6-(trifluoromethoxy)-9H-pyrido[2,3-b]indole
CID 123708933
4-(5-cyclobutyl-4-methoxypyrido[3,4-d]pyrimidin-2-yl)-9H-pyrido[2,3-b]indole
CID 118388227
4-[4-chloro-5-(cyclobutadienyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole
CID 118388690
5-bromo-4-piperazin-1-yl-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidine
CID 90099467
N-[(1S,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 139473906
4-[5-cyclobutyl-4-(1-oxidopiperazin-1-ium-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole
CID 144884987
4-[5-cyclopropyl-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-yl]thiomorpholine
CID 90098572

Frequently Asked Questions

What is the IUPAC name of 4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole?
The IUPAC name of 4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole (CID 161016779) is 4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole?
The canonical SMILES for 4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole is FC(F)(F)c1cncc2nc(-c3ccnc4[nH]c5ccccc5c34)nc(N3CCCCC3)c12.
What is the InChIKey of 4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole?
The InChIKey is DWLCMFSOKILEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6/c25-24(26,27)16-12-28-13-18-20(16)23(33-10-4-1-5-11-33)32-21(31-18)15-8-9-29-22-19(15)14-6-2-3-7-17(14)30-22/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,29,30).
What are the key properties of 4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole?
4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole has a molecular weight of 448.45 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-piperidin-1-yl-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 161016779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).