4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide

C24H29N7O3 — CID 163916144

IUPAC4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide
SMILESC/C(=N\C=C\c1ccccc1)N(C)C(=O)N1CCC(O)(Cn2cnc3c(cnn3C)c2=O)CC1
InChIInChI=1S/C24H29N7O3/c1-18(25-12-9-19-7-5-4-6-8-19)28(2)23(33)30-13-10-24(34,11-14-30)16-31-17-26-21-20(22(31)32)15-27-29(21)3/h4-9,12,15,17,34H,10-11,13-14,16H2,1-3H3/b12-9+,25-18+
InChIKeyQWKFYINJOOLADO-HSDTTXDUSA-N
MW463.54 g/mol
LogP2.10
Rot. Bonds4

About 4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide

4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide (PubChem CID 163916144) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide
PubChem CID163916144
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide
SMILESC/C(=N\C=C\c1ccccc1)N(C)C(=O)N1CCC(O)(Cn2cnc3c(cnn3C)c2=O)CC1
InChIInChI=1S/C24H29N7O3/c1-18(25-12-9-19-7-5-4-6-8-19)28(2)23(33)30-13-10-24(34,11-14-30)16-31-17-26-21-20(22(31)32)15-27-29(21)3/h4-9,12,15,17,34H,10-11,13-14,16H2,1-3H3/b12-9+,25-18+
InChIKeyQWKFYINJOOLADO-HSDTTXDUSA-N
XLogP2.10
TPSA108.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide (CID 163916144) is 4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide is C/C(=N\C=C\c1ccccc1)N(C)C(=O)N1CCC(O)(Cn2cnc3c(cnn3C)c2=O)CC1.
What is the InChIKey of 4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide?
The InChIKey is QWKFYINJOOLADO-HSDTTXDUSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-18(25-12-9-19-7-5-4-6-8-19)28(2)23(33)30-13-10-24(34,11-14-30)16-31-17-26-21-20(22(31)32)15-27-29(21)3/h4-9,12,15,17,34H,10-11,13-14,16H2,1-3H3/b12-9+,25-18+.
What are the key properties of 4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide?
4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-N-[C-methyl-N-[(E)-2-phenylethenyl]carbonimidoyl]piperidine-1-carboxamide is sourced from PubChem (CID 163916144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).