4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide

C18H20N4O — CID 155514311

IUPAC4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)CNc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12
InChIInChI=1S/C18H20N4O/c1-12(2)9-20-17-15(18(19)23)10-21-22-11-14(8-16(17)22)13-6-4-3-5-7-13/h3-8,10-12,20H,9H2,1-2H3,(H2,19,23)
InChIKeyMMYJUCPNAZYRBF-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.17
Rot. Bonds5

About 4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide

4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155514311) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID155514311
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)CNc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12
InChIInChI=1S/C18H20N4O/c1-12(2)9-20-17-15(18(19)23)10-21-22-11-14(8-16(17)22)13-6-4-3-5-7-13/h3-8,10-12,20H,9H2,1-2H3,(H2,19,23)
InChIKeyMMYJUCPNAZYRBF-UHFFFAOYSA-N
XLogP3.17
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide (CID 155514311) is 4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide is CC(C)CNc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12.
What is the InChIKey of 4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is MMYJUCPNAZYRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12(2)9-20-17-15(18(19)23)10-21-22-11-14(8-16(17)22)13-6-4-3-5-7-13/h3-8,10-12,20H,9H2,1-2H3,(H2,19,23).
What are the key properties of 4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide?
4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155514311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).