6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C28H27N7O2 — CID 118673554

IUPAC6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1c(-c2ccc3c(C(=O)NC4CC5(C4)CC(c4n[nH]c(=O)c6ccccc46)C5)cnn3c2)cnn1C
InChIInChI=1S/C28H27N7O2/c1-16-22(13-29-34(16)2)17-7-8-24-23(14-30-35(24)15-17)26(36)31-19-11-28(12-19)9-18(10-28)25-20-5-3-4-6-21(20)27(37)33-32-25/h3-8,13-15,18-19H,9-12H2,1-2H3,(H,31,36)(H,33,37)
InChIKeyUFAINJKFYAFAFI-UHFFFAOYSA-N
MW493.57 g/mol
LogP3.74
Rot. Bonds4

About 6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 118673554) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID118673554
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC Name6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1c(-c2ccc3c(C(=O)NC4CC5(C4)CC(c4n[nH]c(=O)c6ccccc46)C5)cnn3c2)cnn1C
InChIInChI=1S/C28H27N7O2/c1-16-22(13-29-34(16)2)17-7-8-24-23(14-30-35(24)15-17)26(36)31-19-11-28(12-19)9-18(10-28)25-20-5-3-4-6-21(20)27(37)33-32-25/h3-8,13-15,18-19H,9-12H2,1-2H3,(H,31,36)(H,33,37)
InChIKeyUFAINJKFYAFAFI-UHFFFAOYSA-N
XLogP3.74
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 118673554) is 6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1c(-c2ccc3c(C(=O)NC4CC5(C4)CC(c4n[nH]c(=O)c6ccccc46)C5)cnn3c2)cnn1C.
What is the InChIKey of 6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is UFAINJKFYAFAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2/c1-16-22(13-29-34(16)2)17-7-8-24-23(14-30-35(24)15-17)26(36)31-19-11-28(12-19)9-18(10-28)25-20-5-3-4-6-21(20)27(37)33-32-25/h3-8,13-15,18-19H,9-12H2,1-2H3,(H,31,36)(H,33,37).
What are the key properties of 6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 493.57 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dimethylpyrazol-4-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 118673554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).