N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide

C16H13Cl2FN6O2 — CID 141427487

IUPACN-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide
SMILESNc1nnc(N(C=O)c2cn[nH]c2)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C16H13Cl2FN6O2/c17-11-1-2-12(19)15(18)10(11)3-4-27-13-5-14(23-24-16(13)20)25(8-26)9-6-21-22-7-9/h1-2,5-8H,3-4H2,(H2,20,24)(H,21,22)
InChIKeyMXQRFESQWWOPBU-UHFFFAOYSA-N
MW411.22 g/mol
LogP3.14
Rot. Bonds7

About N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide

N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide (PubChem CID 141427487) has the molecular formula C16H13Cl2FN6O2 and a molecular weight of 411.22 g/mol. Its IUPAC name is N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide.

Molecular Properties

Compound NameN-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide
PubChem CID141427487
Molecular FormulaC16H13Cl2FN6O2
Molecular Weight411.22 g/mol
Exact Mass410.05
IUPAC NameN-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide
SMILESNc1nnc(N(C=O)c2cn[nH]c2)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C16H13Cl2FN6O2/c17-11-1-2-12(19)15(18)10(11)3-4-27-13-5-14(23-24-16(13)20)25(8-26)9-6-21-22-7-9/h1-2,5-8H,3-4H2,(H2,20,24)(H,21,22)
InChIKeyMXQRFESQWWOPBU-UHFFFAOYSA-N
XLogP3.14
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.22
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide
CID 87223068
N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide
CID 121408639
4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine
CID 69045854
6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide
CID 134261356
7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide
CID 175342332
N-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 91565843
N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide
CID 91126262
3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
CID 90961480
[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-piperazin-1-ylmethanone
CID 91589682
4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol
CID 91405872
1-[2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethyl]pyrrolidin-2-one
CID 91370323
3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,3-dimethyl-1,2-dihydroindol-5-yl)pyridin-2-amine
CID 90205558

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide?
The IUPAC name of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide (CID 141427487) is N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide.
What is the SMILES notation for N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide?
The canonical SMILES for N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide is Nc1nnc(N(C=O)c2cn[nH]c2)cc1OCCc1c(Cl)ccc(F)c1Cl.
What is the InChIKey of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide?
The InChIKey is MXQRFESQWWOPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN6O2/c17-11-1-2-12(19)15(18)10(11)3-4-27-13-5-14(23-24-16(13)20)25(8-26)9-6-21-22-7-9/h1-2,5-8H,3-4H2,(H2,20,24)(H,21,22).
What are the key properties of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide?
N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide has a molecular weight of 411.22 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide is sourced from PubChem (CID 141427487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).