4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine

C19H18ClFN6 — CID 170030857

IUPAC4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(Nc2cc(-c3cc(Cl)ccc3F)nnc2C2CCN2)ccn1
InChIInChI=1S/C19H18ClFN6/c1-22-18-9-12(4-6-24-18)25-17-10-16(13-8-11(20)2-3-14(13)21)26-27-19(17)15-5-7-23-15/h2-4,6,8-10,15,23H,5,7H2,1H3,(H2,22,24,25,26)
InChIKeyMRSDMFXYMVLGHD-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.15
Rot. Bonds5

About 4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine

4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine (PubChem CID 170030857) has the molecular formula C19H18ClFN6 and a molecular weight of 384.85 g/mol. Its IUPAC name is 4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine
PubChem CID170030857
Molecular FormulaC19H18ClFN6
Molecular Weight384.85 g/mol
Exact Mass384.13
IUPAC Name4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(Nc2cc(-c3cc(Cl)ccc3F)nnc2C2CCN2)ccn1
InChIInChI=1S/C19H18ClFN6/c1-22-18-9-12(4-6-24-18)25-17-10-16(13-8-11(20)2-3-14(13)21)26-27-19(17)15-5-7-23-15/h2-4,6,8-10,15,23H,5,7H2,1H3,(H2,22,24,25,26)
InChIKeyMRSDMFXYMVLGHD-UHFFFAOYSA-N
XLogP4.15
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[6-(5-chloro-2-fluorophenyl)-4-[[2-[3-(4-methylpiperazin-1-yl)propanoylamino]-4-pyridinyl]amino]pyridazin-3-yl]azetidine-1-carboxylate
CID 168985230
4-[4-[[4-[[6-(5-chloro-2-fluorophenyl)-3-methylpyridazin-4-yl]amino]-2-pyridinyl]amino]-4-oxobutyl]piperazine-2-carboxylic acid
CID 175411676
2-[4-[3-[[4-[[6-(5-chloro-2-fluorophenyl)-3-methylpyridazin-4-yl]amino]-2-pyridinyl]amino]-3-oxopropyl]piperazin-1-yl]ethyl-methylcarbamic acid
CID 174166396
N-[4-[[6-(5-chloro-2-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-yl]amino]-2-pyridinyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 163662237
3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one
CID 146296469
2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine
CID 107647069
N-[4-[[6-(5-chloro-2-fluorophenyl)-3-[methyl-[(3-methyl-2,4,5-trioxopyrrolidin-3-yl)methyl]amino]pyridazin-4-yl]amino]-2-pyridinyl]-3-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide
CID 175604646
trans-(1R,3R)-N-[4-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]amino]-2-pyridinyl]-3-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 176589460
N-[4-[[3-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]sulfanyl-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]amino]-2-pyridinyl]-3-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide
CID 171781466
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671064
N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide
CID 146296491
N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine
CID 175411596

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine?
The IUPAC name of 4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine (CID 170030857) is 4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine?
The canonical SMILES for 4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine is CNc1cc(Nc2cc(-c3cc(Cl)ccc3F)nnc2C2CCN2)ccn1.
What is the InChIKey of 4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine?
The InChIKey is MRSDMFXYMVLGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN6/c1-22-18-9-12(4-6-24-18)25-17-10-16(13-8-11(20)2-3-14(13)21)26-27-19(17)15-5-7-23-15/h2-4,6,8-10,15,23H,5,7H2,1H3,(H2,22,24,25,26).
What are the key properties of 4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine?
4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine has a molecular weight of 384.85 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(azetidin-2-yl)-6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-2-N-methylpyridine-2,4-diamine is sourced from PubChem (CID 170030857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).