N-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide

C30H27N7O5 — CID 44555663

IUPACN-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
SMILESCOc1cnc(-c2cc(C(=O)NCCO)[nH]n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c12
InChIInChI=1S/C30H27N7O5/c1-42-24-15-34-26(22-13-23(36-35-22)29(40)32-10-12-38)27-25(24)20(14-33-27)28(39)30(41)37-11-8-18-17(16-37)5-4-6-19(18)21-7-2-3-9-31-21/h2-7,9,13-15,33,38H,8,10-12,16H2,1H3,(H,32,40)(H,35,36)
InChIKeyLXHORBPJEFDIPQ-UHFFFAOYSA-N
MW565.59 g/mol
LogP2.51
Rot. Bonds8

About N-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide

N-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide (PubChem CID 44555663) has the molecular formula C30H27N7O5 and a molecular weight of 565.59 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
PubChem CID44555663
Molecular FormulaC30H27N7O5
Molecular Weight565.59 g/mol
Exact Mass565.21
IUPAC NameN-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
SMILESCOc1cnc(-c2cc(C(=O)NCCO)[nH]n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c12
InChIInChI=1S/C30H27N7O5/c1-42-24-15-34-26(22-13-23(36-35-22)29(40)32-10-12-38)27-25(24)20(14-33-27)28(39)30(41)37-11-8-18-17(16-37)5-4-6-19(18)21-7-2-3-9-31-21/h2-7,9,13-15,33,38H,8,10-12,16H2,1H3,(H,32,40)(H,35,36)
InChIKeyLXHORBPJEFDIPQ-UHFFFAOYSA-N
XLogP2.51
TPSA166.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.59
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide (CID 44555663) is N-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide is COc1cnc(-c2cc(C(=O)NCCO)[nH]n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c12.
What is the InChIKey of N-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is LXHORBPJEFDIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7O5/c1-42-24-15-34-26(22-13-23(36-35-22)29(40)32-10-12-38)27-25(24)20(14-33-27)28(39)30(41)37-11-8-18-17(16-37)5-4-6-19(18)21-7-2-3-9-31-21/h2-7,9,13-15,33,38H,8,10-12,16H2,1H3,(H,32,40)(H,35,36).
What are the key properties of N-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
N-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 565.59 g/mol, XLogP of 2.51, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 44555663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).