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

C24H23F4N7 — CID 86344827

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine
SMILESCn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cc3C(F)(F)F)CC2)c2cnccc12
InChIInChI=1S/C24H23F4N7/c1-34-21(5-9-31-34)22-18-4-8-29-14-19(18)23(33-32-22)35-10-6-17(7-11-35)30-13-15-2-3-16(25)12-20(15)24(26,27)28/h2-5,8-9,12,14,17,30H,6-7,10-11,13H2,1H3
InChIKeyRBMBPIFUZMKKFD-UHFFFAOYSA-N
MW485.49 g/mol
LogP4.34
Rot. Bonds5

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

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine (PubChem CID 86344827) has the molecular formula C24H23F4N7 and a molecular weight of 485.49 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine
PubChem CID86344827
Molecular FormulaC24H23F4N7
Molecular Weight485.49 g/mol
Exact Mass485.20
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine
SMILESCn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cc3C(F)(F)F)CC2)c2cnccc12
InChIInChI=1S/C24H23F4N7/c1-34-21(5-9-31-34)22-18-4-8-29-14-19(18)23(33-32-22)35-10-6-17(7-11-35)30-13-15-2-3-16(25)12-20(15)24(26,27)28/h2-5,8-9,12,14,17,30H,6-7,10-11,13H2,1H3
InChIKeyRBMBPIFUZMKKFD-UHFFFAOYSA-N
XLogP4.34
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine (CID 86344827) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine is Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cc3C(F)(F)F)CC2)c2cnccc12.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine?
The InChIKey is RBMBPIFUZMKKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N7/c1-34-21(5-9-31-34)22-18-4-8-29-14-19(18)23(33-32-22)35-10-6-17(7-11-35)30-13-15-2-3-16(25)12-20(15)24(26,27)28/h2-5,8-9,12,14,17,30H,6-7,10-11,13H2,1H3.
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine has a molecular weight of 485.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-amine is sourced from PubChem (CID 86344827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).