2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine

C32H24Cl2F6N8 — CID 161092415

IUPAC2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine
SMILESCC(C)Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2cnncc12.CC(C)Nc1nc2cnncc2c(Cl)c1-c1c(F)cc(F)cc1F
InChIInChI=1S/2C16H12ClF3N4/c1-7(2)23-15-9-5-21-22-6-12(9)24-16(17)14(15)13-10(19)3-8(18)4-11(13)20;1-7(2)23-16-14(13-10(19)3-8(18)4-11(13)20)15(17)9-5-21-22-6-12(9)24-16/h2*3-7H,1-2H3,(H,23,24)
InChIKeyUHIXVJPNZYDBKW-UHFFFAOYSA-N
MW705.49 g/mol
LogP9.17
Rot. Bonds6

About 2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine

2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine (PubChem CID 161092415) has the molecular formula C32H24Cl2F6N8 and a molecular weight of 705.49 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine
PubChem CID161092415
Molecular FormulaC32H24Cl2F6N8
Molecular Weight705.49 g/mol
Exact Mass704.14
IUPAC Name2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine
SMILESCC(C)Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2cnncc12.CC(C)Nc1nc2cnncc2c(Cl)c1-c1c(F)cc(F)cc1F
InChIInChI=1S/2C16H12ClF3N4/c1-7(2)23-15-9-5-21-22-6-12(9)24-16(17)14(15)13-10(19)3-8(18)4-11(13)20;1-7(2)23-16-14(13-10(19)3-8(18)4-11(13)20)15(17)9-5-21-22-6-12(9)24-16/h2*3-7H,1-2H3,(H,23,24)
InChIKeyUHIXVJPNZYDBKW-UHFFFAOYSA-N
XLogP9.17
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.49
LogP ≤ 59.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine with MolForge

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Related Compounds

3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine
CID 90037538
7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
CID 87887705
5-chloro-3-methyl-N-propan-2-yl-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 89343246
6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 73002031
6-chloro-2-pyrazin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 11281927
5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine
CID 149159512
6-chloro-2-N-(propan-2-ylideneamino)-5-(2,4,6-trifluorophenyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-2,4-diamine
CID 86606161
2-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141176842
6-chloro-2-(2-phenylhydrazinyl)-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 59833601
6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 11293409
2-chloro-6-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine
CID 114693172
4-chloro-5,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 63409144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine?
The IUPAC name of 2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine (CID 161092415) is 2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine.
What is the SMILES notation for 2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine?
The canonical SMILES for 2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine is CC(C)Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2cnncc12.CC(C)Nc1nc2cnncc2c(Cl)c1-c1c(F)cc(F)cc1F.
What is the InChIKey of 2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine?
The InChIKey is UHIXVJPNZYDBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12ClF3N4/c1-7(2)23-15-9-5-21-22-6-12(9)24-16(17)14(15)13-10(19)3-8(18)4-11(13)20;1-7(2)23-16-14(13-10(19)3-8(18)4-11(13)20)15(17)9-5-21-22-6-12(9)24-16/h2*3-7H,1-2H3,(H,23,24).
What are the key properties of 2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine?
2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine has a molecular weight of 705.49 g/mol, XLogP of 9.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine is sourced from PubChem (CID 161092415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).