4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide

C24H31N5O4 — CID 136645396

IUPAC4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cc(C4CCC(C(=O)NO)CC4)ccc3OCC)nc12
InChIInChI=1S/C24H31N5O4/c1-4-6-18-20-21(29(3)27-18)24(31)26-22(25-20)17-13-16(11-12-19(17)33-5-2)14-7-9-15(10-8-14)23(30)28-32/h11-15,32H,4-10H2,1-3H3,(H,28,30)(H,25,26,31)
InChIKeyOLKDVNRJRHYWKX-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.45
Rot. Bonds7

About 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide

4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide (PubChem CID 136645396) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide
PubChem CID136645396
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3cc(C4CCC(C(=O)NO)CC4)ccc3OCC)nc12
InChIInChI=1S/C24H31N5O4/c1-4-6-18-20-21(29(3)27-18)24(31)26-22(25-20)17-13-16(11-12-19(17)33-5-2)14-7-9-15(10-8-14)23(30)28-32/h11-15,32H,4-10H2,1-3H3,(H,28,30)(H,25,26,31)
InChIKeyOLKDVNRJRHYWKX-UHFFFAOYSA-N
XLogP3.45
TPSA122.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-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

Related Compounds

Gendenafil
CID 135559102
5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
CID 135401477
Acetildenafil
CID 135566112
Morpholinoacetildenafil
CID 135487662
4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxybenzamide
CID 136645438
(E)-3-[4-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 136645457
3-[1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperidin-4-yl]-N-hydroxypropanamide
CID 136985288
5-(2-ethoxyphenyl)-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135433645
1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 135456042
5-(2-(benzyloxy)benzyl)-3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135721222
5-(2-Ethoxyphenyl)-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135740146
3-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypropanamide
CID 136286747

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide?
The IUPAC name of 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide (CID 136645396) is 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide is CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C4CCC(C(=O)NO)CC4)ccc3OCC)nc12.
What is the InChIKey of 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide?
The InChIKey is OLKDVNRJRHYWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-4-6-18-20-21(29(3)27-18)24(31)26-22(25-20)17-13-16(11-12-19(17)33-5-2)14-7-9-15(10-8-14)23(30)28-32/h11-15,32H,4-10H2,1-3H3,(H,28,30)(H,25,26,31).
What are the key properties of 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide?
4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-N-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 136645396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).