N,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine

C32H33N7 — CID 11364319

IUPACN,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine
SMILESCN(C)c1cc(-c2ccccc2)c(-c2ccc(CN3CCC(c4cc(-c5ccccn5)n[nH]4)CC3)cc2)nn1
InChIInChI=1S/C32H33N7/c1-38(2)31-20-27(24-8-4-3-5-9-24)32(37-36-31)26-13-11-23(12-14-26)22-39-18-15-25(16-19-39)29-21-30(35-34-29)28-10-6-7-17-33-28/h3-14,17,20-21,25H,15-16,18-19,22H2,1-2H3,(H,34,35)
InChIKeyMGFFABDCZQRUDY-UHFFFAOYSA-N
MW515.67 g/mol
LogP6.04
Rot. Bonds7

About N,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine

N,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine (PubChem CID 11364319) has the molecular formula C32H33N7 and a molecular weight of 515.67 g/mol. Its IUPAC name is N,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine
PubChem CID11364319
Molecular FormulaC32H33N7
Molecular Weight515.67 g/mol
Exact Mass515.28
IUPAC NameN,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine
SMILESCN(C)c1cc(-c2ccccc2)c(-c2ccc(CN3CCC(c4cc(-c5ccccn5)n[nH]4)CC3)cc2)nn1
InChIInChI=1S/C32H33N7/c1-38(2)31-20-27(24-8-4-3-5-9-24)32(37-36-31)26-13-11-23(12-14-26)22-39-18-15-25(16-19-39)29-21-30(35-34-29)28-10-6-7-17-33-28/h3-14,17,20-21,25H,15-16,18-19,22H2,1-2H3,(H,34,35)
InChIKeyMGFFABDCZQRUDY-UHFFFAOYSA-N
XLogP6.04
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.67
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine?
The IUPAC name of N,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine (CID 11364319) is N,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine.
What is the SMILES notation for N,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine?
The canonical SMILES for N,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine is CN(C)c1cc(-c2ccccc2)c(-c2ccc(CN3CCC(c4cc(-c5ccccn5)n[nH]4)CC3)cc2)nn1.
What is the InChIKey of N,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine?
The InChIKey is MGFFABDCZQRUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7/c1-38(2)31-20-27(24-8-4-3-5-9-24)32(37-36-31)26-13-11-23(12-14-26)22-39-18-15-25(16-19-39)29-21-30(35-34-29)28-10-6-7-17-33-28/h3-14,17,20-21,25H,15-16,18-19,22H2,1-2H3,(H,34,35).
What are the key properties of N,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine?
N,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine has a molecular weight of 515.67 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyridazin-3-amine is sourced from PubChem (CID 11364319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).