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]

C21H23N7 — CID 162385182

IUPAC2-(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]
SMILESCCc1c[nH]c2ncc(-c3cc4n(n3)CCC43CN(Cc4ncc[nH]4)C3)cc12
InChIInChI=1S/C21H23N7/c1-2-14-9-24-20-16(14)7-15(10-25-20)17-8-18-21(3-6-28(18)26-17)12-27(13-21)11-19-22-4-5-23-19/h4-5,7-10H,2-3,6,11-13H2,1H3,(H,22,23)(H,24,25)
InChIKeySBMPCILZUQNVPF-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.87
Rot. Bonds4

About 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]

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] (PubChem CID 162385182) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name2-(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]
PubChem CID162385182
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name2-(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]
SMILESCCc1c[nH]c2ncc(-c3cc4n(n3)CCC43CN(Cc4ncc[nH]4)C3)cc12
InChIInChI=1S/C21H23N7/c1-2-14-9-24-20-16(14)7-15(10-25-20)17-8-18-21(3-6-28(18)26-17)12-27(13-21)11-19-22-4-5-23-19/h4-5,7-10H,2-3,6,11-13H2,1H3,(H,22,23)(H,24,25)
InChIKeySBMPCILZUQNVPF-UHFFFAOYSA-N
XLogP2.87
TPSA78.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is CCc1c[nH]c2ncc(-c3cc4n(n3)CCC43CN(Cc4ncc[nH]4)C3)cc12.
What is the InChIKey of 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]?
The InChIKey is SBMPCILZUQNVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-2-14-9-24-20-16(14)7-15(10-25-20)17-8-18-21(3-6-28(18)26-17)12-27(13-21)11-19-22-4-5-23-19/h4-5,7-10H,2-3,6,11-13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 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]?
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] has a molecular weight of 373.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 162385182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).