[1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium

C26H32N7O2+ — CID 145091881

IUPAC[1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium
SMILES[H]/N=C(\C1=C([NH2+][C@H]2CCOC2)CCN(C(C)=O)C1)N1CCCc2cc(-c3cnn(C)c3)c(C#N)cc21
InChIInChI=1S/C26H31N7O2/c1-17(34)32-8-5-24(30-21-6-9-35-16-21)23(15-32)26(28)33-7-3-4-18-10-22(19(12-27)11-25(18)33)20-13-29-31(2)14-20/h10-11,13-14,21,28,30H,3-9,15-16H2,1-2H3/p+1/b28-26+/t21-/m0/s1
InChIKeyHISXMBSSTCUXKG-GCFMKTMMSA-O
MW474.59 g/mol
LogP1.55
Rot. Bonds4

About [1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium

[1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium (PubChem CID 145091881) has the molecular formula C26H32N7O2+ and a molecular weight of 474.59 g/mol. Its IUPAC name is [1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium.

Molecular Properties

Compound Name[1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium
PubChem CID145091881
Molecular FormulaC26H32N7O2+
Molecular Weight474.59 g/mol
Exact Mass474.26
IUPAC Name[1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium
SMILES[H]/N=C(\C1=C([NH2+][C@H]2CCOC2)CCN(C(C)=O)C1)N1CCCc2cc(-c3cnn(C)c3)c(C#N)cc21
InChIInChI=1S/C26H31N7O2/c1-17(34)32-8-5-24(30-21-6-9-35-16-21)23(15-32)26(28)33-7-3-4-18-10-22(19(12-27)11-25(18)33)20-13-29-31(2)14-20/h10-11,13-14,21,28,30H,3-9,15-16H2,1-2H3/p+1/b28-26+/t21-/m0/s1
InChIKeyHISXMBSSTCUXKG-GCFMKTMMSA-O
XLogP1.55
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze [1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-acetyl-5-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium
CID 145090750
4-[1-acetyl-4-(oxan-4-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 139398242
1-[5-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-4-(oxan-4-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 145091155
1-[1-acetyl-4-(oxan-4-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
CID 147225706
1-[1-acetyl-4-[[(3S)-oxolan-3-yl]amino]-3,6-dihydro-2H-pyridine-5-carboximidoyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-5-carbonitrile
CID 145091853
4-[1-acetyl-4-(oxan-4-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 145090679
benzene;1-[5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 145090308
1-[4-amino-5-[7-methoxy-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 145091870
5-[7-cyano-6-(1,3-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-4-(oxan-4-ylamino)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 139398574
1-[5-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole-1-carboximidoyl]-4-(oxetan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 139398486
5-[7-cyano-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-4-(oxan-4-ylamino)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 145090327
(4S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile
CID 121373315

Frequently Asked Questions

What is the IUPAC name of [1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium?
The IUPAC name of [1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium (CID 145091881) is [1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium.
What is the SMILES notation for [1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium?
The canonical SMILES for [1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium is [H]/N=C(\C1=C([NH2+][C@H]2CCOC2)CCN(C(C)=O)C1)N1CCCc2cc(-c3cnn(C)c3)c(C#N)cc21.
What is the InChIKey of [1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium?
The InChIKey is HISXMBSSTCUXKG-GCFMKTMMSA-O. The full InChI is InChI=1S/C26H31N7O2/c1-17(34)32-8-5-24(30-21-6-9-35-16-21)23(15-32)26(28)33-7-3-4-18-10-22(19(12-27)11-25(18)33)20-13-29-31(2)14-20/h10-11,13-14,21,28,30H,3-9,15-16H2,1-2H3/p+1/b28-26+/t21-/m0/s1.
What are the key properties of [1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium?
[1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium has a molecular weight of 474.59 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-acetyl-5-[7-cyano-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-3,6-dihydro-2H-pyridin-4-yl]-[(3S)-oxolan-3-yl]azanium is sourced from PubChem (CID 145091881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).