N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide

C22H28N6O — CID 175692261

IUPACN-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
SMILESCCc1c[nH]c2ncc(-c3cc4n(n3)CCC43CN(C(=O)NC(C)(C)C)C3)cc12
InChIInChI=1S/C22H28N6O/c1-5-14-10-23-19-16(14)8-15(11-24-19)17-9-18-22(6-7-28(18)26-17)12-27(13-22)20(29)25-21(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,23,24)(H,25,29)
InChIKeySSLAAFKIBNZTCU-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.45
Rot. Bonds2

About N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide

N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide (PubChem CID 175692261) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
PubChem CID175692261
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
SMILESCCc1c[nH]c2ncc(-c3cc4n(n3)CCC43CN(C(=O)NC(C)(C)C)C3)cc12
InChIInChI=1S/C22H28N6O/c1-5-14-10-23-19-16(14)8-15(11-24-19)17-9-18-22(6-7-28(18)26-17)12-27(13-22)20(29)25-21(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,23,24)(H,25,29)
InChIKeySSLAAFKIBNZTCU-UHFFFAOYSA-N
XLogP3.45
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide with MolForge

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Related Compounds

N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide
CID 162385160
2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1'-(1H-imidazol-2-ylmethyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]
CID 162385182
(4S)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164858927
2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859817
2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid
CID 175779917
2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859438
2-quinolin-3-yl-N-(2,2,2-trifluoroethyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 175692684
(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-[2-(2-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 175780030
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-[(1S)-1-pyridin-3-ylethyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164859930
2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 156726504
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164859835
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(pyrimidin-4-ylmethyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164858674

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?
The IUPAC name of N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide (CID 175692261) is N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?
The canonical SMILES for N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide is CCc1c[nH]c2ncc(-c3cc4n(n3)CCC43CN(C(=O)NC(C)(C)C)C3)cc12.
What is the InChIKey of N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?
The InChIKey is SSLAAFKIBNZTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-5-14-10-23-19-16(14)8-15(11-24-19)17-9-18-22(6-7-28(18)26-17)12-27(13-22)20(29)25-21(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,23,24)(H,25,29).
What are the key properties of N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?
N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide is sourced from PubChem (CID 175692261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).