N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine

C48H48F5N13 — CID 144749754

IUPACN-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine
SMILESCn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cc3C(F)(F)F)CC2)c2ncccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccccc3F)CC2)c2ccccc12
InChIInChI=1S/C24H23F4N7.C24H25FN6/c1-34-20(6-10-31-34)21-18-3-2-9-29-22(18)23(33-32-21)35-11-7-17(8-12-35)30-14-15-4-5-16(25)13-19(15)24(26,27)28;1-30-22(10-13-27-30)23-19-7-3-4-8-20(19)24(29-28-23)31-14-11-18(12-15-31)26-16-17-6-2-5-9-21(17)25/h2-6,9-10,13,17,30H,7-8,11-12,14H2,1H3;2-10,13,18,26H,11-12,14-16H2,1H3
InChIKeyIBTDBUPNERRDQC-UHFFFAOYSA-N
MW901.99 g/mol
LogP8.27
Rot. Bonds10

About N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine

N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine (PubChem CID 144749754) has the molecular formula C48H48F5N13 and a molecular weight of 901.99 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine
PubChem CID144749754
Molecular FormulaC48H48F5N13
Molecular Weight901.99 g/mol
Exact Mass901.41
IUPAC NameN-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine
SMILESCn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cc3C(F)(F)F)CC2)c2ncccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccccc3F)CC2)c2ccccc12
InChIInChI=1S/C24H23F4N7.C24H25FN6/c1-34-20(6-10-31-34)21-18-3-2-9-29-22(18)23(33-32-21)35-11-7-17(8-12-35)30-14-15-4-5-16(25)13-19(15)24(26,27)28;1-30-22(10-13-27-30)23-19-7-3-4-8-20(19)24(29-28-23)31-14-11-18(12-15-31)26-16-17-6-2-5-9-21(17)25/h2-6,9-10,13,17,30H,7-8,11-12,14H2,1H3;2-10,13,18,26H,11-12,14-16H2,1H3
InChIKeyIBTDBUPNERRDQC-UHFFFAOYSA-N
XLogP8.27
TPSA130.63 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.99
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]piperidin-3-amine
CID 72714478
(3S)-1-[3-(difluoromethyl)-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-yl]piperidin-3-amine
CID 72714482
(1S)-2,2-difluoro-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
CID 118032942
US11702418, Example 12-1
CID 156496065
US11702418, Example 12-59
CID 156526698
US11702418, Example 12-60
CID 156526944
US11702418, Example 12-26
CID 156527245
2-(3-Fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine
CID 162653690
N'-(2,6-difluorophenyl)-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-propan-2-ylethane-1,2-diamine
CID 89534225
N'-(3,5-difluorophenyl)-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-propan-2-ylethane-1,2-diamine
CID 89534299
(S)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine
CID 118032861
(R)-(4-fluorophenyl)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanamine
CID 118032864

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine (CID 144749754) is N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine is Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cc3C(F)(F)F)CC2)c2ncccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccccc3F)CC2)c2ccccc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine?
The InChIKey is IBTDBUPNERRDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N7.C24H25FN6/c1-34-20(6-10-31-34)21-18-3-2-9-29-22(18)23(33-32-21)35-11-7-17(8-12-35)30-14-15-4-5-16(25)13-19(15)24(26,27)28;1-30-22(10-13-27-30)23-19-7-3-4-8-20(19)24(29-28-23)31-14-11-18(12-15-31)26-16-17-6-2-5-9-21(17)25/h2-6,9-10,13,17,30H,7-8,11-12,14H2,1H3;2-10,13,18,26H,11-12,14-16H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine?
N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine has a molecular weight of 901.99 g/mol, XLogP of 8.27, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine is sourced from PubChem (CID 144749754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).