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

C23H34N8O2 — CID 122500176

IUPAC4-[amino-[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]-6-[5-(2,2-dimethylpropylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](N(N)c2c(C(N)=O)cnn3cc(-c4nnc(NCC(C)(C)C)o4)cc23)C1(C)C
InChIInChI=1S/C23H34N8O2/c1-13-7-8-17(23(13,5)6)31(25)18-15(19(24)32)10-27-30-11-14(9-16(18)30)20-28-29-21(33-20)26-12-22(2,3)4/h9-11,13,17H,7-8,12,25H2,1-6H3,(H2,24,32)(H,26,29)/t13-,17-/m1/s1
InChIKeyRVJOTUKFHDUCLM-CXAGYDPISA-N
MW454.58 g/mol
LogP3.45
Rot. Bonds6

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

4-[amino-[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]-6-[5-(2,2-dimethylpropylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122500176) has the molecular formula C23H34N8O2 and a molecular weight of 454.58 g/mol. Its IUPAC name is 4-[amino-[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]-6-[5-(2,2-dimethylpropylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[amino-[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]-6-[5-(2,2-dimethylpropylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID122500176
Molecular FormulaC23H34N8O2
Molecular Weight454.58 g/mol
Exact Mass454.28
IUPAC Name4-[amino-[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]-6-[5-(2,2-dimethylpropylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](N(N)c2c(C(N)=O)cnn3cc(-c4nnc(NCC(C)(C)C)o4)cc23)C1(C)C
InChIInChI=1S/C23H34N8O2/c1-13-7-8-17(23(13,5)6)31(25)18-15(19(24)32)10-27-30-11-14(9-16(18)30)20-28-29-21(33-20)26-12-22(2,3)4/h9-11,13,17H,7-8,12,25H2,1-6H3,(H2,24,32)(H,26,29)/t13-,17-/m1/s1
InChIKeyRVJOTUKFHDUCLM-CXAGYDPISA-N
XLogP3.45
TPSA140.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]-6-[5-(2,2-dimethylpropylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[amino-[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]-6-[5-(2,2-dimethylpropylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 122500176) is 4-[amino-[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]-6-[5-(2,2-dimethylpropylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[amino-[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]-6-[5-(2,2-dimethylpropylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[amino-[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]-6-[5-(2,2-dimethylpropylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide is C[C@@H]1CC[C@@H](N(N)c2c(C(N)=O)cnn3cc(-c4nnc(NCC(C)(C)C)o4)cc23)C1(C)C.
What is the InChIKey of 4-[amino-[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]-6-[5-(2,2-dimethylpropylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is RVJOTUKFHDUCLM-CXAGYDPISA-N. The full InChI is InChI=1S/C23H34N8O2/c1-13-7-8-17(23(13,5)6)31(25)18-15(19(24)32)10-27-30-11-14(9-16(18)30)20-28-29-21(33-20)26-12-22(2,3)4/h9-11,13,17H,7-8,12,25H2,1-6H3,(H2,24,32)(H,26,29)/t13-,17-/m1/s1.
What are the key properties of 4-[amino-[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]-6-[5-(2,2-dimethylpropylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[amino-[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]-6-[5-(2,2-dimethylpropylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[(1R,3R)-2,2,3-trimethylcyclopentyl]amino]-6-[5-(2,2-dimethylpropylamino)-1,3,4-oxadiazol-2-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122500176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).