4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide

C20H20F3N5O2 — CID 77487566

IUPAC4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(Nc1c(C(N)=O)cnn2cc(-c3ccc(C(F)(F)F)nc3)cc12)C(O)C1CC1
InChIInChI=1S/C20H20F3N5O2/c1-10(18(29)11-2-3-11)27-17-14(19(24)30)8-26-28-9-13(6-15(17)28)12-4-5-16(25-7-12)20(21,22)23/h4-11,18,27,29H,2-3H2,1H3,(H2,24,30)
InChIKeyFVTWMVZTEXFWGH-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.09
Rot. Bonds6

About 4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77487566) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID77487566
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(Nc1c(C(N)=O)cnn2cc(-c3ccc(C(F)(F)F)nc3)cc12)C(O)C1CC1
InChIInChI=1S/C20H20F3N5O2/c1-10(18(29)11-2-3-11)27-17-14(19(24)30)8-26-28-9-13(6-15(17)28)12-4-5-16(25-7-12)20(21,22)23/h4-11,18,27,29H,2-3H2,1H3,(H2,24,30)
InChIKeyFVTWMVZTEXFWGH-UHFFFAOYSA-N
XLogP3.09
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487439
6-[4-(dimethylcarbamoyl)phenyl]-4-[(3-fluoro-3-methylbutan-2-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487477
4-(1-cyclopropylethylamino)-6-[3-[(pyrrolidine-1-carbonylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487511
[2-[[3-[3-carbamoyl-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazin-6-yl]phenyl]methylamino]-2-oxoethyl] acetate
CID 77487448
6-bromo-4-[[(1R)-1-cyclopropylethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-6-(3-ethenylphenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide;(3-ethenylphenyl)boronic acid
CID 158616910
4-[[(2R)-3-fluoro-3-methylbutan-2-yl]amino]-6-[(2,2,2-trifluoroacetyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 88948224
6-[3-(benzamidomethyl)phenyl]-4-[(3-fluoro-3-methylbutan-2-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487593
4-[(2,3-dimethylcyclopentyl)amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123839186
6-(3,4-difluorophenyl)-4-[(2-fluoro-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468208
6-(5-fluoro-3-pyridinyl)-4-(oxan-4-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937345
6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123502961
4-[(2-fluoro-2-methylcyclopentyl)amino]-6-quinolin-6-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468139

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77487566) is 4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide is CC(Nc1c(C(N)=O)cnn2cc(-c3ccc(C(F)(F)F)nc3)cc12)C(O)C1CC1.
What is the InChIKey of 4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is FVTWMVZTEXFWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-10(18(29)11-2-3-11)27-17-14(19(24)30)8-26-28-9-13(6-15(17)28)12-4-5-16(25-7-12)20(21,22)23/h4-11,18,27,29H,2-3H2,1H3,(H2,24,30).
What are the key properties of 4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropyl-1-hydroxypropan-2-yl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77487566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).