4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide

C17H20FN5O3 — CID 91937352

IUPAC4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(F)COCC1Nc1c(C(N)=O)cnn2cc(N3CCCC3=O)cc12
InChIInChI=1S/C17H20FN5O3/c1-17(18)9-26-8-13(17)21-15-11(16(19)25)6-20-23-7-10(5-12(15)23)22-4-2-3-14(22)24/h5-7,13,21H,2-4,8-9H2,1H3,(H2,19,25)
InChIKeySCAWUBARWWNXCQ-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.10
Rot. Bonds4

About 4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 91937352) has the molecular formula C17H20FN5O3 and a molecular weight of 361.38 g/mol. Its IUPAC name is 4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID91937352
Molecular FormulaC17H20FN5O3
Molecular Weight361.38 g/mol
Exact Mass361.16
IUPAC Name4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1(F)COCC1Nc1c(C(N)=O)cnn2cc(N3CCCC3=O)cc12
InChIInChI=1S/C17H20FN5O3/c1-17(18)9-26-8-13(17)21-15-11(16(19)25)6-20-23-7-10(5-12(15)23)22-4-2-3-14(22)24/h5-7,13,21H,2-4,8-9H2,1H3,(H2,19,25)
InChIKeySCAWUBARWWNXCQ-UHFFFAOYSA-N
XLogP1.10
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 91937352) is 4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide is CC1(F)COCC1Nc1c(C(N)=O)cnn2cc(N3CCCC3=O)cc12.
What is the InChIKey of 4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is SCAWUBARWWNXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O3/c1-17(18)9-26-8-13(17)21-15-11(16(19)25)6-20-23-7-10(5-12(15)23)22-4-2-3-14(22)24/h5-7,13,21H,2-4,8-9H2,1H3,(H2,19,25).
What are the key properties of 4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-4-methyloxolan-3-yl)amino]-6-(2-oxopyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 91937352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).