4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide

C27H26F2N10O2 — CID 72678598

IUPAC4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1CN(c2ccc(C#N)cn2)CC1Nc1c(C(N)=O)cnn2cc(-c3cnn(CC(=O)N4CC(F)(F)C4)c3)cc12
InChIInChI=1S/C27H26F2N10O2/c1-16-9-36(23-3-2-17(5-30)6-32-23)12-21(16)35-25-20(26(31)41)8-34-39-11-18(4-22(25)39)19-7-33-38(10-19)13-24(40)37-14-27(28,29)15-37/h2-4,6-8,10-11,16,21,35H,9,12-15H2,1H3,(H2,31,41)
InChIKeyDYNWNZXMEXKEQG-UHFFFAOYSA-N
MW560.57 g/mol
LogP1.98
Rot. Bonds7

About 4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 72678598) has the molecular formula C27H26F2N10O2 and a molecular weight of 560.57 g/mol. Its IUPAC name is 4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID72678598
Molecular FormulaC27H26F2N10O2
Molecular Weight560.57 g/mol
Exact Mass560.22
IUPAC Name4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1CN(c2ccc(C#N)cn2)CC1Nc1c(C(N)=O)cnn2cc(-c3cnn(CC(=O)N4CC(F)(F)C4)c3)cc12
InChIInChI=1S/C27H26F2N10O2/c1-16-9-36(23-3-2-17(5-30)6-32-23)12-21(16)35-25-20(26(31)41)8-34-39-11-18(4-22(25)39)19-7-33-38(10-19)13-24(40)37-14-27(28,29)15-37/h2-4,6-8,10-11,16,21,35H,9,12-15H2,1H3,(H2,31,41)
InChIKeyDYNWNZXMEXKEQG-UHFFFAOYSA-N
XLogP1.98
TPSA150.47 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.57
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2r)-1-(3-Cyanoazetidin-1-Yl)-1-Oxidanylidene-Propan-2-Yl]-2-(6-Fluoranyl-1-Methyl-Indazol-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71285696
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-pyrazol-1-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958792
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(3-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958840
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958842
2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250
N-(5-((2-(2,2-Dimethylpyrrolidin-1-yl)ethyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283395
4-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469439
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide
CID 67388460
7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
CID 162672157
N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-cyclopropyl-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71285933
2-(6-tert-butyl-1-methylindazol-3-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71286184
N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288497

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 72678598) is 4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide is CC1CN(c2ccc(C#N)cn2)CC1Nc1c(C(N)=O)cnn2cc(-c3cnn(CC(=O)N4CC(F)(F)C4)c3)cc12.
What is the InChIKey of 4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DYNWNZXMEXKEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N10O2/c1-16-9-36(23-3-2-17(5-30)6-32-23)12-21(16)35-25-20(26(31)41)8-34-39-11-18(4-22(25)39)19-7-33-38(10-19)13-24(40)37-14-27(28,29)15-37/h2-4,6-8,10-11,16,21,35H,9,12-15H2,1H3,(H2,31,41).
What are the key properties of 4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 560.57 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-cyano-2-pyridinyl)-4-methylpyrrolidin-3-yl]amino]-6-[1-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 72678598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).