N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C30H25N7O5S — CID 59693955

IUPACN-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1cnc(-c2cnc(NC(=O)c3ccncc3)s2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C30H25N7O5S/c1-42-21-16-33-24(22-17-34-30(43-22)35-27(39)18-7-9-31-10-8-18)25-23(21)20(15-32-25)26(38)29(41)37-13-11-36(12-14-37)28(40)19-5-3-2-4-6-19/h2-10,15-17,32H,11-14H2,1H3,(H,34,35,39)
InChIKeyGFPVLSCJVUAEIK-UHFFFAOYSA-N
MW595.64 g/mol
LogP3.51
Rot. Bonds7

About N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 59693955) has the molecular formula C30H25N7O5S and a molecular weight of 595.64 g/mol. Its IUPAC name is N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID59693955
Molecular FormulaC30H25N7O5S
Molecular Weight595.64 g/mol
Exact Mass595.16
IUPAC NameN-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1cnc(-c2cnc(NC(=O)c3ccncc3)s2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C30H25N7O5S/c1-42-21-16-33-24(22-17-34-30(43-22)35-27(39)18-7-9-31-10-8-18)25-23(21)20(15-32-25)26(38)29(41)37-13-11-36(12-14-37)28(40)19-5-3-2-4-6-19/h2-10,15-17,32H,11-14H2,1H3,(H,34,35,39)
InChIKeyGFPVLSCJVUAEIK-UHFFFAOYSA-N
XLogP3.51
TPSA150.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.64
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 59693955) is N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is COc1cnc(-c2cnc(NC(=O)c3ccncc3)s2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12.
What is the InChIKey of N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is GFPVLSCJVUAEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O5S/c1-42-21-16-33-24(22-17-34-30(43-22)35-27(39)18-7-9-31-10-8-18)25-23(21)20(15-32-25)26(38)29(41)37-13-11-36(12-14-37)28(40)19-5-3-2-4-6-19/h2-10,15-17,32H,11-14H2,1H3,(H,34,35,39).
What are the key properties of N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 595.64 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 59693955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).