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

C24H26F2N6O — CID 68729396

IUPAC(4,4-difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone
SMILESCC1CN(C(=O)N2CCC(F)(F)CC2)CCN1c1nnc(-c2ccccc2)c2ccncc12
InChIInChI=1S/C24H26F2N6O/c1-17-16-31(23(33)30-11-8-24(25,26)9-12-30)13-14-32(17)22-20-15-27-10-7-19(20)21(28-29-22)18-5-3-2-4-6-18/h2-7,10,15,17H,8-9,11-14,16H2,1H3
InChIKeyASBKKJWHSFALOH-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.05
Rot. Bonds2

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

(4,4-difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone (PubChem CID 68729396) has the molecular formula C24H26F2N6O and a molecular weight of 452.51 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone
PubChem CID68729396
Molecular FormulaC24H26F2N6O
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name(4,4-difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone
SMILESCC1CN(C(=O)N2CCC(F)(F)CC2)CCN1c1nnc(-c2ccccc2)c2ccncc12
InChIInChI=1S/C24H26F2N6O/c1-17-16-31(23(33)30-11-8-24(25,26)9-12-30)13-14-32(17)22-20-15-27-10-7-19(20)21(28-29-22)18-5-3-2-4-6-18/h2-7,10,15,17H,8-9,11-14,16H2,1H3
InChIKeyASBKKJWHSFALOH-UHFFFAOYSA-N
XLogP4.05
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tt-301
CID 54576073
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6-(4-Methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine
CID 59867414
(R)-(3-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)(phenyl)methanone
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CID 2951746
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CID 18526613
1-Pyridin-4-ylmethyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine
CID 20875737
6-{4-[4-(4-Trifluoromethylbenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile
CID 25065893
N-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-ylmethyl}acetamide
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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone (CID 68729396) is (4,4-difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone is CC1CN(C(=O)N2CCC(F)(F)CC2)CCN1c1nnc(-c2ccccc2)c2ccncc12.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone?
The InChIKey is ASBKKJWHSFALOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O/c1-17-16-31(23(33)30-11-8-24(25,26)9-12-30)13-14-32(17)22-20-15-27-10-7-19(20)21(28-29-22)18-5-3-2-4-6-18/h2-7,10,15,17H,8-9,11-14,16H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone has a molecular weight of 452.51 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 68729396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).