ethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide

C22H30N8O2 — CID 177040958

IUPACethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCC.COc1cc2nn(C)nc2cc1NC(=O)N1CCc2c(N3CCNCC3)ccnc21
InChIInChI=1S/C20H24N8O2.C2H6/c1-26-24-14-11-16(18(30-2)12-15(14)25-26)23-20(29)28-8-4-13-17(3-5-22-19(13)28)27-9-6-21-7-10-27;1-2/h3,5,11-12,21H,4,6-10H2,1-2H3,(H,23,29);1-2H3
InChIKeyDWWNNZHNCFSWJK-UHFFFAOYSA-N
MW438.54 g/mol
LogP2.40
Rot. Bonds3

About ethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide

ethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 177040958) has the molecular formula C22H30N8O2 and a molecular weight of 438.54 g/mol. Its IUPAC name is ethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Nameethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
PubChem CID177040958
Molecular FormulaC22H30N8O2
Molecular Weight438.54 g/mol
Exact Mass438.25
IUPAC Nameethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCC.COc1cc2nn(C)nc2cc1NC(=O)N1CCc2c(N3CCNCC3)ccnc21
InChIInChI=1S/C20H24N8O2.C2H6/c1-26-24-14-11-16(18(30-2)12-15(14)25-26)23-20(29)28-8-4-13-17(3-5-22-19(13)28)27-9-6-21-7-10-27;1-2/h3,5,11-12,21H,4,6-10H2,1-2H3,(H,23,29);1-2H3
InChIKeyDWWNNZHNCFSWJK-UHFFFAOYSA-N
XLogP2.40
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The IUPAC name of ethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide (CID 177040958) is ethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide.
What is the SMILES notation for ethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The canonical SMILES for ethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide is CC.COc1cc2nn(C)nc2cc1NC(=O)N1CCc2c(N3CCNCC3)ccnc21.
What is the InChIKey of ethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The InChIKey is DWWNNZHNCFSWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2.C2H6/c1-26-24-14-11-16(18(30-2)12-15(14)25-26)23-20(29)28-8-4-13-17(3-5-22-19(13)28)27-9-6-21-7-10-27;1-2/h3,5,11-12,21H,4,6-10H2,1-2H3,(H,23,29);1-2H3.
What are the key properties of ethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
ethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 438.54 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 177040958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).