1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one

C21H25N7O — CID 137030186

IUPAC1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
SMILES[H]/N=C/C/N=N/Cc1cccc(Nc2nn(C3CCCCC3)c3cc[nH]c(=O)c23)c1
InChIInChI=1S/C21H25N7O/c22-10-12-24-25-14-15-5-4-6-16(13-15)26-20-19-18(9-11-23-21(19)29)28(27-20)17-7-2-1-3-8-17/h4-6,9-11,13,17,22H,1-3,7-8,12,14H2,(H,23,29)(H,26,27)/b22-10+,25-24+
InChIKeyYCVBVDVJWCZDKP-GPYLYDMISA-N
MW391.48 g/mol
LogP4.58
Rot. Bonds7

About 1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one

1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 137030186) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID137030186
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
SMILES[H]/N=C/C/N=N/Cc1cccc(Nc2nn(C3CCCCC3)c3cc[nH]c(=O)c23)c1
InChIInChI=1S/C21H25N7O/c22-10-12-24-25-14-15-5-4-6-16(13-15)26-20-19-18(9-11-23-21(19)29)28(27-20)17-7-2-1-3-8-17/h4-6,9-11,13,17,22H,1-3,7-8,12,14H2,(H,23,29)(H,26,27)/b22-10+,25-24+
InChIKeyYCVBVDVJWCZDKP-GPYLYDMISA-N
XLogP4.58
TPSA111.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-[4-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137144018
[3-[[1-[(1S,2S)-2-cyanocyclohexyl]-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]methylcarbamic acid
CID 137089642
3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 144712822
1-cyclohexyl-3-[3-(methylsulfanylmethyl)-5-(triazol-1-ylmethyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137058862
1-cyclohexyl-3-(4-propan-2-ylsulfinylanilino)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137281922
1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137145906
1-cyclohexyl-3-[[2-(2-hydroxyethyl)-1,1-dioxo-3H-1,2-benzothiazol-5-yl]amino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137282129
N-[[3-[[1-[(1S,2S)-2-cyanocyclohexyl]-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]methyl]pyrimidine-2-carboxamide
CID 136950883
3-(4-tert-butylsulfinylanilino)-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137282199
1-cyclohexyl-3-[[2-(oxan-4-yl)-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137069304
1-cyclopentyl-3-[4-(2,2,2-trifluoro-1-hydroxyethyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137145528
1-cyclohexyl-3-[4-(1,1,1-trifluoro-2-methoxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137281997

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one (CID 137030186) is 1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one is [H]/N=C/C/N=N/Cc1cccc(Nc2nn(C3CCCCC3)c3cc[nH]c(=O)c23)c1.
What is the InChIKey of 1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is YCVBVDVJWCZDKP-GPYLYDMISA-N. The full InChI is InChI=1S/C21H25N7O/c22-10-12-24-25-14-15-5-4-6-16(13-15)26-20-19-18(9-11-23-21(19)29)28(27-20)17-7-2-1-3-8-17/h4-6,9-11,13,17,22H,1-3,7-8,12,14H2,(H,23,29)(H,26,27)/b22-10+,25-24+.
What are the key properties of 1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one?
1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 391.48 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-[(2-iminoethyldiazenyl)methyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 137030186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).