6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C24H25N5O3 — CID 166216719

IUPAC6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCn1[nH]c(=O)c2c(C(=O)NC3CC(=O)N(C4CC4c4ccccc4)C3)cc(C3CC3)nc21
InChIInChI=1S/C24H25N5O3/c1-28-22-21(24(32)27-28)17(10-18(26-22)14-7-8-14)23(31)25-15-9-20(30)29(12-15)19-11-16(19)13-5-3-2-4-6-13/h2-6,10,14-16,19H,7-9,11-12H2,1H3,(H,25,31)(H,27,32)
InChIKeyQFTNOSBDZWHERN-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.03
Rot. Bonds5

About 6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 166216719) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID166216719
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCn1[nH]c(=O)c2c(C(=O)NC3CC(=O)N(C4CC4c4ccccc4)C3)cc(C3CC3)nc21
InChIInChI=1S/C24H25N5O3/c1-28-22-21(24(32)27-28)17(10-18(26-22)14-7-8-14)23(31)25-15-9-20(30)29(12-15)19-11-16(19)13-5-3-2-4-6-13/h2-6,10,14-16,19H,7-9,11-12H2,1H3,(H,25,31)(H,27,32)
InChIKeyQFTNOSBDZWHERN-UHFFFAOYSA-N
XLogP2.03
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 166216719) is 6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cn1[nH]c(=O)c2c(C(=O)NC3CC(=O)N(C4CC4c4ccccc4)C3)cc(C3CC3)nc21.
What is the InChIKey of 6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is QFTNOSBDZWHERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-28-22-21(24(32)27-28)17(10-18(26-22)14-7-8-14)23(31)25-15-9-20(30)29(12-15)19-11-16(19)13-5-3-2-4-6-13/h2-6,10,14-16,19H,7-9,11-12H2,1H3,(H,25,31)(H,27,32).
What are the key properties of 6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-methyl-3-oxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166216719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).