N-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C25H19N7O2 — CID 139370311

IUPACN-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3cccc4[nH]ncc34)c(=O)[nH]n2)cc1)N1Cc2ccncc2C1
InChIInChI=1S/C25H19N7O2/c33-24-20(19-2-1-3-22-21(19)12-27-29-22)10-23(30-31-24)15-4-6-18(7-5-15)28-25(34)32-13-16-8-9-26-11-17(16)14-32/h1-12H,13-14H2,(H,27,29)(H,28,34)(H,31,33)
InChIKeyNZJQLJQZOPEQLN-UHFFFAOYSA-N
MW449.47 g/mol
LogP3.92
Rot. Bonds3

About N-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 139370311) has the molecular formula C25H19N7O2 and a molecular weight of 449.47 g/mol. Its IUPAC name is N-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID139370311
Molecular FormulaC25H19N7O2
Molecular Weight449.47 g/mol
Exact Mass449.16
IUPAC NameN-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3cccc4[nH]ncc34)c(=O)[nH]n2)cc1)N1Cc2ccncc2C1
InChIInChI=1S/C25H19N7O2/c33-24-20(19-2-1-3-22-21(19)12-27-29-22)10-23(30-31-24)15-4-6-18(7-5-15)28-25(34)32-13-16-8-9-26-11-17(16)14-32/h1-12H,13-14H2,(H,27,29)(H,28,34)(H,31,33)
InChIKeyNZJQLJQZOPEQLN-UHFFFAOYSA-N
XLogP3.92
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 139370311) is N-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(Nc1ccc(-c2cc(-c3cccc4[nH]ncc34)c(=O)[nH]n2)cc1)N1Cc2ccncc2C1.
What is the InChIKey of N-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is NZJQLJQZOPEQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O2/c33-24-20(19-2-1-3-22-21(19)12-27-29-22)10-23(30-31-24)15-4-6-18(7-5-15)28-25(34)32-13-16-8-9-26-11-17(16)14-32/h1-12H,13-14H2,(H,27,29)(H,28,34)(H,31,33).
What are the key properties of N-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 449.47 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(1H-indazol-4-yl)-6-oxo-1H-pyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 139370311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).