6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide

C19H20FN7O — CID 118320648

IUPAC6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc(Nc2cnn(CC3CC3)c2)cc1NCc1cccc(F)c1
InChIInChI=1S/C19H20FN7O/c20-14-3-1-2-13(6-14)8-22-16-7-17(25-26-18(16)19(21)28)24-15-9-23-27(11-15)10-12-4-5-12/h1-3,6-7,9,11-12H,4-5,8,10H2,(H2,21,28)(H2,22,24,25)
InChIKeySUOGUMPRNUDHBS-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.68
Rot. Bonds8

About 6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide

6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 118320648) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide
PubChem CID118320648
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc(Nc2cnn(CC3CC3)c2)cc1NCc1cccc(F)c1
InChIInChI=1S/C19H20FN7O/c20-14-3-1-2-13(6-14)8-22-16-7-17(25-26-18(16)19(21)28)24-15-9-23-27(11-15)10-12-4-5-12/h1-3,6-7,9,11-12H,4-5,8,10H2,(H2,21,28)(H2,22,24,25)
InChIKeySUOGUMPRNUDHBS-UHFFFAOYSA-N
XLogP2.68
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 118320668
1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone
CID 129266333
6-[4-(dimethylcarbamoyl)-3-methylanilino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 118320644
1-[4-[(3-fluorophenyl)methylamino]-6-[(6-piperazin-1-yl-3-pyridinyl)amino]pyridazin-3-yl]ethanone
CID 129266285
1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone
CID 129266295
6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-pyridin-3-ylphenyl)methylamino]pyridazine-3-carboxamide
CID 118320686
1-[[(3R,4R)-3-[(3-fluorophenyl)methylamino]-4-hydroxycyclopentyl]methyl]pyrazole-4-carboxylic acid
CID 154799553
4-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795
1-(2,2-difluoroethyl)-N-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
CID 126966884
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 95749422
methyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate
CID 151078838
1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone
CID 129266323

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide (CID 118320648) is 6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide is NC(=O)c1nnc(Nc2cnn(CC3CC3)c2)cc1NCc1cccc(F)c1.
What is the InChIKey of 6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is SUOGUMPRNUDHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c20-14-3-1-2-13(6-14)8-22-16-7-17(25-26-18(16)19(21)28)24-15-9-23-27(11-15)10-12-4-5-12/h1-3,6-7,9,11-12H,4-5,8,10H2,(H2,21,28)(H2,22,24,25).
What are the key properties of 6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide?
6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 118320648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).