N-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide

C25H25N5O2 — CID 155141540

IUPACN-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1ccc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCOCC5)c4)cc3c2)n1C
InChIInChI=1S/C25H25N5O2/c1-17-3-6-22(29(17)2)18-4-5-20-16-27-23(14-21(20)13-18)28-25(31)19-7-8-26-24(15-19)30-9-11-32-12-10-30/h3-8,13-16H,9-12H2,1-2H3,(H,27,28,31)
InChIKeyMXOBYDOCPJMDFI-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.03
Rot. Bonds4

About N-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide

N-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 155141540) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID155141540
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1ccc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCOCC5)c4)cc3c2)n1C
InChIInChI=1S/C25H25N5O2/c1-17-3-6-22(29(17)2)18-4-5-20-16-27-23(14-21(20)13-18)28-25(31)19-7-8-26-24(15-19)30-9-11-32-12-10-30/h3-8,13-16H,9-12H2,1-2H3,(H,27,28,31)
InChIKeyMXOBYDOCPJMDFI-UHFFFAOYSA-N
XLogP4.03
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138586311
2-(4-methylpiperazin-1-yl)-N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 138586346
N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 158242384
2-[4-(deuteriomethyl)piperazin-1-yl]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 175806566
2-morpholin-4-yl-N-(1,3-oxazol-2-yl)pyridine-4-carboxamide
CID 162429786
N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 138589121
N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138587297
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044
N-[6-(3,4-dihydropyridin-5-yl)isoquinolin-3-yl]-2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 145392153
N-[6-[1,5-dimethyl-2-(morpholin-4-ylmethyl)pyrrol-3-yl]isoquinolin-3-yl]-2-methyl-1,3-dihydroisoindole-5-carboxamide
CID 145392306
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 138590730
N-[6-(2,3-dimethylimidazol-4-yl)-1,5-naphthyridin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 138589015

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 155141540) is N-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide is Cc1ccc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCOCC5)c4)cc3c2)n1C.
What is the InChIKey of N-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is MXOBYDOCPJMDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-17-3-6-22(29(17)2)18-4-5-20-16-27-23(14-21(20)13-18)28-25(31)19-7-8-26-24(15-19)30-9-11-32-12-10-30/h3-8,13-16H,9-12H2,1-2H3,(H,27,28,31).
What are the key properties of N-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,5-dimethylpyrrol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 155141540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).