N-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine

C23H25FN8 — CID 121298888

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine
SMILESCc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3nccnc23)CC1
InChIInChI=1S/C23H25FN8/c1-15-13-17(24)4-3-16(15)14-27-18-6-11-32(12-7-18)23-22-21(25-9-10-26-22)20(29-30-23)19-5-8-28-31(19)2/h3-5,8-10,13,18,27H,6-7,11-12,14H2,1-2H3
InChIKeyMXMOZNHXISNCIV-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.03
Rot. Bonds5

About N-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine

N-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine (PubChem CID 121298888) has the molecular formula C23H25FN8 and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine
PubChem CID121298888
Molecular FormulaC23H25FN8
Molecular Weight432.51 g/mol
Exact Mass432.22
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine
SMILESCc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3nccnc23)CC1
InChIInChI=1S/C23H25FN8/c1-15-13-17(24)4-3-16(15)14-27-18-6-11-32(12-7-18)23-22-21(25-9-10-26-22)20(29-30-23)19-5-8-28-31(19)2/h3-5,8-10,13,18,27H,6-7,11-12,14H2,1-2H3
InChIKeyMXMOZNHXISNCIV-UHFFFAOYSA-N
XLogP3.03
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine (CID 121298888) is N-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine is Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3nccnc23)CC1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine?
The InChIKey is MXMOZNHXISNCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN8/c1-15-13-17(24)4-3-16(15)14-27-18-6-11-32(12-7-18)23-22-21(25-9-10-26-22)20(29-30-23)19-5-8-28-31(19)2/h3-5,8-10,13,18,27H,6-7,11-12,14H2,1-2H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine has a molecular weight of 432.51 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-amine is sourced from PubChem (CID 121298888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).