4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide

C25H28N8O3 — CID 91937361

IUPAC4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(C)CN(c2ccc(C#N)cn2)CC[C@H]1Nc1c(C(N)=O)cnn2cc(N3CC[C@@H](O)C3=O)cc12
InChIInChI=1S/C25H28N8O3/c1-25(2)14-31(21-4-3-15(10-26)11-28-21)7-6-20(25)30-22-17(23(27)35)12-29-33-13-16(9-18(22)33)32-8-5-19(34)24(32)36/h3-4,9,11-13,19-20,30,34H,5-8,14H2,1-2H3,(H2,27,35)/t19-,20-/m1/s1
InChIKeyNYZHGLUYPINXHK-WOJBJXKFSA-N
MW488.55 g/mol
LogP1.51
Rot. Bonds5

About 4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 91937361) has the molecular formula C25H28N8O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is 4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID91937361
Molecular FormulaC25H28N8O3
Molecular Weight488.55 g/mol
Exact Mass488.23
IUPAC Name4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(C)CN(c2ccc(C#N)cn2)CC[C@H]1Nc1c(C(N)=O)cnn2cc(N3CC[C@@H](O)C3=O)cc12
InChIInChI=1S/C25H28N8O3/c1-25(2)14-31(21-4-3-15(10-26)11-28-21)7-6-20(25)30-22-17(23(27)35)12-29-33-13-16(9-18(22)33)32-8-5-19(34)24(32)36/h3-4,9,11-13,19-20,30,34H,5-8,14H2,1-2H3,(H2,27,35)/t19-,20-/m1/s1
InChIKeyNYZHGLUYPINXHK-WOJBJXKFSA-N
XLogP1.51
TPSA152.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 91937361) is 4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide is CC1(C)CN(c2ccc(C#N)cn2)CC[C@H]1Nc1c(C(N)=O)cnn2cc(N3CC[C@@H](O)C3=O)cc12.
What is the InChIKey of 4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is NYZHGLUYPINXHK-WOJBJXKFSA-N. The full InChI is InChI=1S/C25H28N8O3/c1-25(2)14-31(21-4-3-15(10-26)11-28-21)7-6-20(25)30-22-17(23(27)35)12-29-33-13-16(9-18(22)33)32-8-5-19(34)24(32)36/h3-4,9,11-13,19-20,30,34H,5-8,14H2,1-2H3,(H2,27,35)/t19-,20-/m1/s1.
What are the key properties of 4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 91937361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).