7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol

C20H22N6O3 — CID 177134879

IUPAC7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol
SMILESCNc1cc2cn[nH]c2cc1C(C)(C)O.NC(=O)c1cnn2c(C=O)ccc2c1
InChIInChI=1S/C11H15N3O.C9H7N3O2/c1-11(2,15)8-5-9-7(6-13-14-9)4-10(8)12-3;10-9(14)6-3-7-1-2-8(5-13)12(7)11-4-6/h4-6,12,15H,1-3H3,(H,13,14);1-5H,(H2,10,14)
InChIKeyHCFJSGFFPOAERC-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.08
Rot. Bonds4

About 7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol

7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol (PubChem CID 177134879) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol.

Molecular Properties

Compound Name7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol
PubChem CID177134879
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol
SMILESCNc1cc2cn[nH]c2cc1C(C)(C)O.NC(=O)c1cnn2c(C=O)ccc2c1
InChIInChI=1S/C11H15N3O.C9H7N3O2/c1-11(2,15)8-5-9-7(6-13-14-9)4-10(8)12-3;10-9(14)6-3-7-1-2-8(5-13)12(7)11-4-6/h4-6,12,15H,1-3H3,(H,13,14);1-5H,(H2,10,14)
InChIKeyHCFJSGFFPOAERC-UHFFFAOYSA-N
XLogP2.08
TPSA138.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol
CID 169214978
N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide
CID 146589495
6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 164801989
6-(difluoromethyl)-N-methyl-1H-indazol-5-amine
CID 155751931
carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium
CID 155751858
6-methoxy-N-methyl-1H-indazol-5-amine
CID 153364692
N-methyl-1H-indazole-5-carboxamide
CID 22934041
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid
CID 150730994
N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63194069
tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate
CID 118182563

Frequently Asked Questions

What is the IUPAC name of 7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol?
The IUPAC name of 7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol (CID 177134879) is 7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol.
What is the SMILES notation for 7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol?
The canonical SMILES for 7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol is CNc1cc2cn[nH]c2cc1C(C)(C)O.NC(=O)c1cnn2c(C=O)ccc2c1.
What is the InChIKey of 7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol?
The InChIKey is HCFJSGFFPOAERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.C9H7N3O2/c1-11(2,15)8-5-9-7(6-13-14-9)4-10(8)12-3;10-9(14)6-3-7-1-2-8(5-13)12(7)11-4-6/h4-6,12,15H,1-3H3,(H,13,14);1-5H,(H2,10,14).
What are the key properties of 7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol?
7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol has a molecular weight of 394.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol is sourced from PubChem (CID 177134879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).