N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide

C22H21ClF3N7O — CID 121064686

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1ccnc(Nc2ccc(N3CCN(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)CC3)nn2)c1
InChIInChI=1S/C22H21ClF3N7O/c1-14-6-7-27-19(12-14)29-18-4-5-20(31-30-18)32-8-10-33(11-9-32)21(34)28-17-13-15(22(24,25)26)2-3-16(17)23/h2-7,12-13H,8-11H2,1H3,(H,28,34)(H,27,29,30)
InChIKeyKLUUFQGRHFXQRS-UHFFFAOYSA-N
MW491.91 g/mol
LogP4.95
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 121064686) has the molecular formula C22H21ClF3N7O and a molecular weight of 491.91 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID121064686
Molecular FormulaC22H21ClF3N7O
Molecular Weight491.91 g/mol
Exact Mass491.14
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
SMILESCc1ccnc(Nc2ccc(N3CCN(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)CC3)nn2)c1
InChIInChI=1S/C22H21ClF3N7O/c1-14-6-7-27-19(12-14)29-18-4-5-20(31-30-18)32-8-10-33(11-9-32)21(34)28-17-13-15(22(24,25)26)2-3-16(17)23/h2-7,12-13H,8-11H2,1H3,(H,28,34)(H,27,29,30)
InChIKeyKLUUFQGRHFXQRS-UHFFFAOYSA-N
XLogP4.95
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.91
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 42111702
N-(3,4-dimethylphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 121064676
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122347323
1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone
CID 121064730
(2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064733
N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 47001350
(5-methyl-1,2-oxazol-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346877
(2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346868
(2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064734
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118846
(3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064735
N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122349382

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide (CID 121064686) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide is Cc1ccnc(Nc2ccc(N3CCN(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)CC3)nn2)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is KLUUFQGRHFXQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N7O/c1-14-6-7-27-19(12-14)29-18-4-5-20(31-30-18)32-8-10-33(11-9-32)21(34)28-17-13-15(22(24,25)26)2-3-16(17)23/h2-7,12-13H,8-11H2,1H3,(H,28,34)(H,27,29,30).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 491.91 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 121064686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).