1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea

C19H19FN6O2 — CID 126826878

IUPAC1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea
SMILESCn1cc(-c2ccc(NC(=O)NCc3cccc(OC4CC4)c3F)nn2)cn1
InChIInChI=1S/C19H19FN6O2/c1-26-11-13(10-22-26)15-7-8-17(25-24-15)23-19(27)21-9-12-3-2-4-16(18(12)20)28-14-5-6-14/h2-4,7-8,10-11,14H,5-6,9H2,1H3,(H2,21,23,25,27)
InChIKeyGAOKMTDTGMCSBW-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.88
Rot. Bonds6

About 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea

1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea (PubChem CID 126826878) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea
PubChem CID126826878
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea
SMILESCn1cc(-c2ccc(NC(=O)NCc3cccc(OC4CC4)c3F)nn2)cn1
InChIInChI=1S/C19H19FN6O2/c1-26-11-13(10-22-26)15-7-8-17(25-24-15)23-19(27)21-9-12-3-2-4-16(18(12)20)28-14-5-6-14/h2-4,7-8,10-11,14H,5-6,9H2,1H3,(H2,21,23,25,27)
InChIKeyGAOKMTDTGMCSBW-UHFFFAOYSA-N
XLogP2.88
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide
CID 125139517
1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea
CID 167793464
1-[[2-(ethoxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)urea
CID 78874659
2-[2-(4-cyanophenyl)ethylamino]-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide
CID 139426182
1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111564640
(1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
CID 122275461
1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 138037540
[4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate
CID 175075606
3-[4-[6-(ethylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-N-propan-2-ylbenzamide
CID 138715317
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122274311
1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275539
5-cyano-2-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]furan-3-carboxamide
CID 119050853

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea?
The IUPAC name of 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea (CID 126826878) is 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea.
What is the SMILES notation for 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea?
The canonical SMILES for 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea is Cn1cc(-c2ccc(NC(=O)NCc3cccc(OC4CC4)c3F)nn2)cn1.
What is the InChIKey of 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea?
The InChIKey is GAOKMTDTGMCSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-26-11-13(10-22-26)15-7-8-17(25-24-15)23-19(27)21-9-12-3-2-4-16(18(12)20)28-14-5-6-14/h2-4,7-8,10-11,14H,5-6,9H2,1H3,(H2,21,23,25,27).
What are the key properties of 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea?
1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea has a molecular weight of 382.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea is sourced from PubChem (CID 126826878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).