N-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide

C19H19ClF3N5O2 — CID 53312093

IUPACN-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C19H19ClF3N5O2/c20-16-3-4-17(26-25-16)24-18(29)28-8-6-27(7-9-28)14-5-10-30-15-11-12(19(21,22)23)1-2-13(14)15/h1-4,11,14H,5-10H2,(H,24,26,29)
InChIKeyMIWZQSFECGGURA-UHFFFAOYSA-N
MW441.84 g/mol
LogP3.82
Rot. Bonds2

About N-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide

N-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide (PubChem CID 53312093) has the molecular formula C19H19ClF3N5O2 and a molecular weight of 441.84 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
PubChem CID53312093
Molecular FormulaC19H19ClF3N5O2
Molecular Weight441.84 g/mol
Exact Mass441.12
IUPAC NameN-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C19H19ClF3N5O2/c20-16-3-4-17(26-25-16)24-18(29)28-8-6-27(7-9-28)14-5-10-30-15-11-12(19(21,22)23)1-2-13(14)15/h1-4,11,14H,5-10H2,(H,24,26,29)
InChIKeyMIWZQSFECGGURA-UHFFFAOYSA-N
XLogP3.82
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-2-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
CID 71242623
N-(6-amino-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
CID 53312014
4-[6-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 70922308
4-hydroxy-N-pyridazin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide
CID 70922857
N-pyridazin-3-yl-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
CID 53311845
4-[1-methylsulfonyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 53312011
tert-butyl 4-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylate
CID 70922687
4-(3,4-dihydro-2H-chromen-4-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide;4-[8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide;N-(6-methyl-3-pyridinyl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;3-oxo-N-phenyl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-phenyl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide;N-pyridin-3-yl-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
CID 158315594
1-[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine
CID 70922738
N-(6-chloropyridazin-3-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 24966910
4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 89103867
N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide
CID 25132060

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide (CID 53312093) is N-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide is O=C(Nc1ccc(Cl)nn1)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The InChIKey is MIWZQSFECGGURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N5O2/c20-16-3-4-17(26-25-16)24-18(29)28-8-6-27(7-9-28)14-5-10-30-15-11-12(19(21,22)23)1-2-13(14)15/h1-4,11,14H,5-10H2,(H,24,26,29).
What are the key properties of N-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
N-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide has a molecular weight of 441.84 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53312093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).