N-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide

C20H24N8O2 — CID 177041105

IUPACN-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCOc1nc(NC(=O)N2CCc3c(N4CCNCC4)ccnc32)cc2cn(C)nc12
InChIInChI=1S/C20H24N8O2/c1-26-12-13-11-16(23-19(30-2)17(13)25-26)24-20(29)28-8-4-14-15(3-5-22-18(14)28)27-9-6-21-7-10-27/h3,5,11-12,21H,4,6-10H2,1-2H3,(H,24,29)
InChIKeyJYXARNICKNYRHV-UHFFFAOYSA-N
MW408.47 g/mol
LogP1.38
Rot. Bonds3

About N-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide

N-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 177041105) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
PubChem CID177041105
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC NameN-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCOc1nc(NC(=O)N2CCc3c(N4CCNCC4)ccnc32)cc2cn(C)nc12
InChIInChI=1S/C20H24N8O2/c1-26-12-13-11-16(23-19(30-2)17(13)25-26)24-20(29)28-8-4-14-15(3-5-22-18(14)28)27-9-6-21-7-10-27/h3,5,11-12,21H,4,6-10H2,1-2H3,(H,24,29)
InChIKeyJYXARNICKNYRHV-UHFFFAOYSA-N
XLogP1.38
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The IUPAC name of N-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide (CID 177041105) is N-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide.
What is the SMILES notation for N-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The canonical SMILES for N-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide is COc1nc(NC(=O)N2CCc3c(N4CCNCC4)ccnc32)cc2cn(C)nc12.
What is the InChIKey of N-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The InChIKey is JYXARNICKNYRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2/c1-26-12-13-11-16(23-19(30-2)17(13)25-26)24-20(29)28-8-4-14-15(3-5-22-18(14)28)27-9-6-21-7-10-27/h3,5,11-12,21H,4,6-10H2,1-2H3,(H,24,29).
What are the key properties of N-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
N-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 177041105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).