5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide

C27H30N6O3 — CID 121372767

IUPAC5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)CCCN3c2nn(C3COC3)c3c2CN(C(C)=O)CC3)cn1
InChIInChI=1S/C27H30N6O3/c1-17(34)31-11-9-25-22(14-31)26(30-33(25)21-15-36-16-21)32-10-3-4-19-12-18(6-8-24(19)32)20-5-7-23(29-13-20)27(35)28-2/h5-8,12-13,21H,3-4,9-11,14-16H2,1-2H3,(H,28,35)
InChIKeyPQOGHYAWCRPTEJ-UHFFFAOYSA-N
MW486.58 g/mol
LogP2.86
Rot. Bonds4

About 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide

5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide (PubChem CID 121372767) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide
PubChem CID121372767
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)CCCN3c2nn(C3COC3)c3c2CN(C(C)=O)CC3)cn1
InChIInChI=1S/C27H30N6O3/c1-17(34)31-11-9-25-22(14-31)26(30-33(25)21-15-36-16-21)32-10-3-4-19-12-18(6-8-24(19)32)20-5-7-23(29-13-20)27(35)28-2/h5-8,12-13,21H,3-4,9-11,14-16H2,1-2H3,(H,28,35)
InChIKeyPQOGHYAWCRPTEJ-UHFFFAOYSA-N
XLogP2.86
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide (CID 121372767) is 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc3c(c2)CCCN3c2nn(C3COC3)c3c2CN(C(C)=O)CC3)cn1.
What is the InChIKey of 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is PQOGHYAWCRPTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-17(34)31-11-9-25-22(14-31)26(30-33(25)21-15-36-16-21)32-10-3-4-19-12-18(6-8-24(19)32)20-5-7-23(29-13-20)27(35)28-2/h5-8,12-13,21H,3-4,9-11,14-16H2,1-2H3,(H,28,35).
What are the key properties of 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide?
5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 121372767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).