4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

C18H16ClF3N6O2 — CID 60507259

IUPAC4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Nc2cnn(CC3CCCO3)c2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H16ClF3N6O2/c19-16-14(26-12-7-24-27(9-12)10-13-2-1-5-30-13)8-25-28(17(16)29)15-4-3-11(6-23-15)18(20,21)22/h3-4,6-9,13,26H,1-2,5,10H2
InChIKeyUMYQPIGYLPGIQF-UHFFFAOYSA-N
MW440.81 g/mol
LogP3.42
Rot. Bonds5

About 4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (PubChem CID 60507259) has the molecular formula C18H16ClF3N6O2 and a molecular weight of 440.81 g/mol. Its IUPAC name is 4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
PubChem CID60507259
Molecular FormulaC18H16ClF3N6O2
Molecular Weight440.81 g/mol
Exact Mass440.10
IUPAC Name4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Nc2cnn(CC3CCCO3)c2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H16ClF3N6O2/c19-16-14(26-12-7-24-27(9-12)10-13-2-1-5-30-13)8-25-28(17(16)29)15-4-3-11(6-23-15)18(20,21)22/h3-4,6-9,13,26H,1-2,5,10H2
InChIKeyUMYQPIGYLPGIQF-UHFFFAOYSA-N
XLogP3.42
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-5-[(1-propan-2-ylpyrazol-4-yl)amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133275983
4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 24508507
4-chloro-5-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 24508260
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
4-chloro-5-[[(1S,2S)-2-ethylsulfanylcyclohexyl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 96529577
4-chloro-5-[(2-ethylsulfanylcyclopentyl)amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
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CID 121145309
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]acetamide
CID 17419898
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 171607061
4-chloro-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 137271819
4-chloro-5-[(1-methoxycyclobutyl)methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133460033

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The IUPAC name of 4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (CID 60507259) is 4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is O=c1c(Cl)c(Nc2cnn(CC3CCCO3)c2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The InChIKey is UMYQPIGYLPGIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N6O2/c19-16-14(26-12-7-24-27(9-12)10-13-2-1-5-30-13)8-25-28(17(16)29)15-4-3-11(6-23-15)18(20,21)22/h3-4,6-9,13,26H,1-2,5,10H2.
What are the key properties of 4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one has a molecular weight of 440.81 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is sourced from PubChem (CID 60507259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).