N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide

C21H32N6O2 — CID 135436665

IUPACN-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide
SMILESCC(C)c1[nH]nc2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3NC(=O)CN3CCCC3)nc12
InChIInChI=1S/C21H32N6O2/c1-13(2)18-19-20(26-25-18)21(29)24-16(23-19)11-14-7-3-4-8-15(14)22-17(28)12-27-9-5-6-10-27/h13-15H,3-12H2,1-2H3,(H,22,28)(H,25,26)(H,23,24,29)/t14-,15+/m0/s1
InChIKeySEYCIBHCEGUQNB-LSDHHAIUSA-N
MW400.53 g/mol
LogP2.08
Rot. Bonds6

About N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide

N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 135436665) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide
PubChem CID135436665
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC NameN-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide
SMILESCC(C)c1[nH]nc2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3NC(=O)CN3CCCC3)nc12
InChIInChI=1S/C21H32N6O2/c1-13(2)18-19-20(26-25-18)21(29)24-16(23-19)11-14-7-3-4-8-15(14)22-17(28)12-27-9-5-6-10-27/h13-15H,3-12H2,1-2H3,(H,22,28)(H,25,26)(H,23,24,29)/t14-,15+/m0/s1
InChIKeySEYCIBHCEGUQNB-LSDHHAIUSA-N
XLogP2.08
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide 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

N-{(1R,2S)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl}-2-(tetrahydro-2H-pyran-4-yl)acetamide
CID 136059724
1-{(1R,2S)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl}-3-(3-morpholin-4-ylpropyl)urea
CID 136059725
2-methyl-7-[(5-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 135990819
5-Methyl-7-hydroxy-3-isopropylpyrazolo[4,3-d]pyrimidine
CID 136355271
3,5-Di(propan-2-yl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 136748515
5-Butyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 172465650
5-[[1-(2-aminoethyl)piperidin-4-yl]methyl-(2-methylpropyl)amino]-3-tert-butyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
CID 90697064
5-ethyl-6-methyl-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
CID 90837139
6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
CID 90865413
3-cyclopentyl-6-methyl-5-piperidin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-one
CID 90875386
5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
CID 91117971
6-chloro-3-cyclopentyl-5-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
CID 91199285

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide (CID 135436665) is N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide is CC(C)c1[nH]nc2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3NC(=O)CN3CCCC3)nc12.
What is the InChIKey of N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is SEYCIBHCEGUQNB-LSDHHAIUSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-13(2)18-19-20(26-25-18)21(29)24-16(23-19)11-14-7-3-4-8-15(14)22-17(28)12-27-9-5-6-10-27/h13-15H,3-12H2,1-2H3,(H,22,28)(H,25,26)(H,23,24,29)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide?
N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 400.53 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(7-oxo-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 135436665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).