4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide

C18H19N5O2 — CID 91937347

IUPAC4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(-c3cccnc3)cc2c1NC1CCOCC1
InChIInChI=1S/C18H19N5O2/c19-18(24)15-10-21-23-11-13(12-2-1-5-20-9-12)8-16(23)17(15)22-14-3-6-25-7-4-14/h1-2,5,8-11,14,22H,3-4,6-7H2,(H2,19,24)
InChIKeyVODAKRLYZHOBNY-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.09
Rot. Bonds4

About 4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide

4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 91937347) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID91937347
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(-c3cccnc3)cc2c1NC1CCOCC1
InChIInChI=1S/C18H19N5O2/c19-18(24)15-10-21-23-11-13(12-2-1-5-20-9-12)8-16(23)17(15)22-14-3-6-25-7-4-14/h1-2,5,8-11,14,22H,3-4,6-7H2,(H2,19,24)
InChIKeyVODAKRLYZHOBNY-UHFFFAOYSA-N
XLogP2.09
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide (CID 91937347) is 4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnn2cc(-c3cccnc3)cc2c1NC1CCOCC1.
What is the InChIKey of 4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is VODAKRLYZHOBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c19-18(24)15-10-21-23-11-13(12-2-1-5-20-9-12)8-16(23)17(15)22-14-3-6-25-7-4-14/h1-2,5,8-11,14,22H,3-4,6-7H2,(H2,19,24).
What are the key properties of 4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide?
4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylamino)-6-pyridin-3-ylpyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 91937347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).