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

C24H23N5O3 — CID 118673548

IUPAC6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(CO)ccc12
InChIInChI=1S/C24H23N5O3/c30-13-14-5-6-20-19(11-25-29(20)12-14)22(31)26-16-9-24(10-16)7-15(8-24)21-17-3-1-2-4-18(17)23(32)28-27-21/h1-6,11-12,15-16,30H,7-10,13H2,(H,26,31)(H,28,32)
InChIKeyAUWGYUIKUPOSMG-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.52
Rot. Bonds4

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

6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 118673548) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-(hydroxymethyl)-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-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID118673548
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(CO)ccc12
InChIInChI=1S/C24H23N5O3/c30-13-14-5-6-20-19(11-25-29(20)12-14)22(31)26-16-9-24(10-16)7-15(8-24)21-17-3-1-2-4-18(17)23(32)28-27-21/h1-6,11-12,15-16,30H,7-10,13H2,(H,26,31)(H,28,32)
InChIKeyAUWGYUIKUPOSMG-UHFFFAOYSA-N
XLogP2.52
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-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-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 118673548) is 6-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NC1CC2(C1)CC(c1n[nH]c(=O)c3ccccc13)C2)c1cnn2cc(CO)ccc12.
What is the InChIKey of 6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is AUWGYUIKUPOSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c30-13-14-5-6-20-19(11-25-29(20)12-14)22(31)26-16-9-24(10-16)7-15(8-24)21-17-3-1-2-4-18(17)23(32)28-27-21/h1-6,11-12,15-16,30H,7-10,13H2,(H,26,31)(H,28,32).
What are the key properties of 6-(hydroxymethyl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
6-(hydroxymethyl)-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 429.48 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-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 118673548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).