1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide

C18H22N6O — CID 121373567

IUPAC1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)N(c1nn(C)c3c1CN(C(C)=O)CC3)CC2
InChIInChI=1S/C18H22N6O/c1-11(25)23-7-6-15-14(10-23)18(21-22(15)2)24-8-5-12-3-4-13(17(19)20)9-16(12)24/h3-4,9H,5-8,10H2,1-2H3,(H3,19,20)
InChIKeyZNVRBBVFUAFWRO-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.30
Rot. Bonds2

About 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide

1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide (PubChem CID 121373567) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide.

Molecular Properties

Compound Name1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide
PubChem CID121373567
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)N(c1nn(C)c3c1CN(C(C)=O)CC3)CC2
InChIInChI=1S/C18H22N6O/c1-11(25)23-7-6-15-14(10-23)18(21-22(15)2)24-8-5-12-3-4-13(17(19)20)9-16(12)24/h3-4,9H,5-8,10H2,1-2H3,(H3,19,20)
InChIKeyZNVRBBVFUAFWRO-UHFFFAOYSA-N
XLogP1.30
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide?
The IUPAC name of 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide (CID 121373567) is 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide.
What is the SMILES notation for 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide?
The canonical SMILES for 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)N(c1nn(C)c3c1CN(C(C)=O)CC3)CC2.
What is the InChIKey of 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide?
The InChIKey is ZNVRBBVFUAFWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11(25)23-7-6-15-14(10-23)18(21-22(15)2)24-8-5-12-3-4-13(17(19)20)9-16(12)24/h3-4,9H,5-8,10H2,1-2H3,(H3,19,20).
What are the key properties of 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide?
1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide has a molecular weight of 338.42 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboximidamide is sourced from PubChem (CID 121373567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).