N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

C26H26N6O3 — CID 134286487

IUPACN-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1)c1cnn2cc(N3CCCC3=O)ccc12
InChIInChI=1S/C26H26N6O3/c33-23-6-3-13-31(23)18-11-12-22-21(14-27-32(22)15-18)25(34)28-17-9-7-16(8-10-17)24-19-4-1-2-5-20(19)26(35)30-29-24/h1-2,4-5,11-12,14-17H,3,6-10,13H2,(H,28,34)(H,30,35)
InChIKeyFAEPPHJWKMZPTB-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.15
Rot. Bonds4

About N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 134286487) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID134286487
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC NameN-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1)c1cnn2cc(N3CCCC3=O)ccc12
InChIInChI=1S/C26H26N6O3/c33-23-6-3-13-31(23)18-11-12-22-21(14-27-32(22)15-18)25(34)28-17-9-7-16(8-10-17)24-19-4-1-2-5-20(19)26(35)30-29-24/h1-2,4-5,11-12,14-17H,3,6-10,13H2,(H,28,34)(H,30,35)
InChIKeyFAEPPHJWKMZPTB-UHFFFAOYSA-N
XLogP3.15
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 134286487) is N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1)c1cnn2cc(N3CCCC3=O)ccc12.
What is the InChIKey of N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FAEPPHJWKMZPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c33-23-6-3-13-31(23)18-11-12-22-21(14-27-32(22)15-18)25(34)28-17-9-7-16(8-10-17)24-19-4-1-2-5-20(19)26(35)30-29-24/h1-2,4-5,11-12,14-17H,3,6-10,13H2,(H,28,34)(H,30,35).
What are the key properties of N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-6-(2-oxopyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 134286487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).