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

C18H19N5 — CID 82586033

IUPAC4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
SMILESCN1CCc2c(c(-c3ccc(N)cc3)nn2-c2ccccn2)C1
InChIInChI=1S/C18H19N5/c1-22-11-9-16-15(12-22)18(13-5-7-14(19)8-6-13)21-23(16)17-4-2-3-10-20-17/h2-8,10H,9,11-12,19H2,1H3
InChIKeyLTKXHWWNTAFQLW-UHFFFAOYSA-N
MW305.39 g/mol
LogP2.50
Rot. Bonds2

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

4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline (PubChem CID 82586033) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline.

Molecular Properties

Compound Name4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
PubChem CID82586033
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
SMILESCN1CCc2c(c(-c3ccc(N)cc3)nn2-c2ccccn2)C1
InChIInChI=1S/C18H19N5/c1-22-11-9-16-15(12-22)18(13-5-7-14(19)8-6-13)21-23(16)17-4-2-3-10-20-17/h2-8,10H,9,11-12,19H2,1H3
InChIKeyLTKXHWWNTAFQLW-UHFFFAOYSA-N
XLogP2.50
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
CID 110458909
3-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
CID 82585989
3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
CID 82585997
methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 110458892
4-[4-ethyl-3-(4-hydroxyphenyl)-1-pyridin-2-ylpyrazol-5-yl]phenol
CID 135693427
methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 110458889
3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 57221359
5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 54553606
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82587168
5-[3-(dimethylamino)propyl]-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;dihydrochloride
CID 82022556
1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 121435120

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline?
The IUPAC name of 4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline (CID 82586033) is 4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline.
What is the SMILES notation for 4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline?
The canonical SMILES for 4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline is CN1CCc2c(c(-c3ccc(N)cc3)nn2-c2ccccn2)C1.
What is the InChIKey of 4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline?
The InChIKey is LTKXHWWNTAFQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-22-11-9-16-15(12-22)18(13-5-7-14(19)8-6-13)21-23(16)17-4-2-3-10-20-17/h2-8,10H,9,11-12,19H2,1H3.
What are the key properties of 4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline?
4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline has a molecular weight of 305.39 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline is sourced from PubChem (CID 82586033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).