(R)-(4,4-difluorocyclohexyl)(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanone

C25H27F2N5O — CID 25226575

IUPAC(4,4-difluorocyclohexyl)-[(3R)-3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone
SMILESC[C@@H]1CN(CCN1C2=NN=C(C3=C2C=NC=C3)C4=CC=CC=C4)C(=O)C5CCC(CC5)(F)F
InChIInChI=1S/C25H27F2N5O/c1-17-16-31(24(33)19-7-10-25(26,27)11-8-19)13-14-32(17)23-21-15-28-12-9-20(21)22(29-30-23)18-5-3-2-4-6-18/h2-6,9,12,15,17,19H,7-8,10-11,13-14,16H2,1H3/t17-/m1/s1
InChIKeyWSZVNQBPFUINTO-QGZVFWFLSA-N
MW451.50 g/mol
LogP3.70
Rot. Bonds3

About (R)-(4,4-difluorocyclohexyl)(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanone

(R)-(4,4-difluorocyclohexyl)(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanone (PubChem CID 25226575) has the molecular formula C25H27F2N5O and a molecular weight of 451.50 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[(3R)-3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(R)-(4,4-difluorocyclohexyl)(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanone
PubChem CID25226575
Molecular FormulaC25H27F2N5O
Molecular Weight451.50 g/mol
Exact Mass451.22
IUPAC Name(4,4-difluorocyclohexyl)-[(3R)-3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone
SMILESC[C@@H]1CN(CCN1C2=NN=C(C3=C2C=NC=C3)C4=CC=CC=C4)C(=O)C5CCC(CC5)(F)F
InChIInChI=1S/C25H27F2N5O/c1-17-16-31(24(33)19-7-10-25(26,27)11-8-19)13-14-32(17)23-21-15-28-12-9-20(21)22(29-30-23)18-5-3-2-4-6-18/h2-6,9,12,15,17,19H,7-8,10-11,13-14,16H2,1H3/t17-/m1/s1
InChIKeyWSZVNQBPFUINTO-QGZVFWFLSA-N
XLogP3.70
TPSA62.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity678

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (R)-(4,4-difluorocyclohexyl)(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanone with MolForge

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Related Compounds

Taladegib
CID 49848070
(R)-(3-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)(phenyl)methanone
CID 25226761
N-(3,4-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide
CID 46855896
N-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-ylmethyl}acetamide
CID 25065894
1-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]phthalazine
CID 25066520
(R)-(3-methyl-4-(5-phenylpyrido[2,3-d]pyridazin-8-yl)piperazin-1-yl)(phenyl)methanone
CID 25224531
(R)-(3-methyl-4-(8-phenylpyrido[3,2-d]pyridazin-5-yl)piperazin-1-yl)(phenyl)methanone
CID 25224707
(r)-(3-Methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)(phenyl)methanone
CID 25226762
(r)-(3-Methyl-4-(4-phenylpyrido[4,3-d]pyridazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 25226764
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide
CID 46855898
N-(5-fluoro-2-methylphenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide
CID 46855899
N-(3-fluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide
CID 46856027

Frequently Asked Questions

What is the IUPAC name of (R)-(4,4-difluorocyclohexyl)(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanone?
The IUPAC name of (R)-(4,4-difluorocyclohexyl)(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanone (CID 25226575) is (4,4-difluorocyclohexyl)-[(3R)-3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (R)-(4,4-difluorocyclohexyl)(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanone?
The canonical SMILES for (R)-(4,4-difluorocyclohexyl)(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanone is C[C@@H]1CN(CCN1C2=NN=C(C3=C2C=NC=C3)C4=CC=CC=C4)C(=O)C5CCC(CC5)(F)F.
What is the InChIKey of (R)-(4,4-difluorocyclohexyl)(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanone?
The InChIKey is WSZVNQBPFUINTO-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27F2N5O/c1-17-16-31(24(33)19-7-10-25(26,27)11-8-19)13-14-32(17)23-21-15-28-12-9-20(21)22(29-30-23)18-5-3-2-4-6-18/h2-6,9,12,15,17,19H,7-8,10-11,13-14,16H2,1H3/t17-/m1/s1.
What are the key properties of (R)-(4,4-difluorocyclohexyl)(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanone?
(R)-(4,4-difluorocyclohexyl)(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanone has a molecular weight of 451.50 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4,4-difluorocyclohexyl)(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)methanone is sourced from PubChem (CID 25226575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).