4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide

C21H28N8O2 — CID 66547328

IUPAC4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESC[C@@H](Nc1c(C(N)=O)cnn2cc(-c3nnc(N4CCN(C)CC4)o3)cc12)C1(C)CC1
InChIInChI=1S/C21H28N8O2/c1-13(21(2)4-5-21)24-17-15(18(22)30)11-23-29-12-14(10-16(17)29)19-25-26-20(31-19)28-8-6-27(3)7-9-28/h10-13,24H,4-9H2,1-3H3,(H2,22,30)/t13-/m1/s1
InChIKeyQYDYZVRUCWFTDE-CYBMUJFWSA-N
MW424.51 g/mol
LogP1.84
Rot. Bonds6

About 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 66547328) has the molecular formula C21H28N8O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID66547328
Molecular FormulaC21H28N8O2
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC Name4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESC[C@@H](Nc1c(C(N)=O)cnn2cc(-c3nnc(N4CCN(C)CC4)o3)cc12)C1(C)CC1
InChIInChI=1S/C21H28N8O2/c1-13(21(2)4-5-21)24-17-15(18(22)30)11-23-29-12-14(10-16(17)29)19-25-26-20(31-19)28-8-6-27(3)7-9-28/h10-13,24H,4-9H2,1-3H3,(H2,22,30)/t13-/m1/s1
InChIKeyQYDYZVRUCWFTDE-CYBMUJFWSA-N
XLogP1.84
TPSA117.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 66547328) is 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide is C[C@@H](Nc1c(C(N)=O)cnn2cc(-c3nnc(N4CCN(C)CC4)o3)cc12)C1(C)CC1.
What is the InChIKey of 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QYDYZVRUCWFTDE-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H28N8O2/c1-13(21(2)4-5-21)24-17-15(18(22)30)11-23-29-12-14(10-16(17)29)19-25-26-20(31-19)28-8-6-27(3)7-9-28/h10-13,24H,4-9H2,1-3H3,(H2,22,30)/t13-/m1/s1.
What are the key properties of 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-6-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 66547328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).