N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide

C17H18N6O — CID 133316457

IUPACN-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(Nc2ncnc3[nH]ncc23)cc1)C1CC1
InChIInChI=1S/C17H18N6O/c1-11(24)23(14-6-7-14)9-12-2-4-13(5-3-12)21-16-15-8-20-22-17(15)19-10-18-16/h2-5,8,10,14H,6-7,9H2,1H3,(H2,18,19,20,21,22)
InChIKeyYGMJHWNNNNBTGB-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.61
Rot. Bonds5

About N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide

N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide (PubChem CID 133316457) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide
PubChem CID133316457
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(Nc2ncnc3[nH]ncc23)cc1)C1CC1
InChIInChI=1S/C17H18N6O/c1-11(24)23(14-6-7-14)9-12-2-4-13(5-3-12)21-16-15-8-20-22-17(15)19-10-18-16/h2-5,8,10,14H,6-7,9H2,1H3,(H2,18,19,20,21,22)
InChIKeyYGMJHWNNNNBTGB-UHFFFAOYSA-N
XLogP2.61
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide 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

ethyl 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)benzoate
CID 875354
N-cyclopropyl-N-[[4-(1H-indazol-7-ylmethylamino)phenyl]methyl]acetamide
CID 71913375
N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 91407901
(2R)-N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-aminopropanamide;hydrochloride
CID 119328523
N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide
CID 133276027
N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 711496
ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 42226847
N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 154741235
N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide
CID 102554259
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide
CID 142065920
1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone
CID 133342484

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide (CID 133316457) is N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide is CC(=O)N(Cc1ccc(Nc2ncnc3[nH]ncc23)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide?
The InChIKey is YGMJHWNNNNBTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-11(24)23(14-6-7-14)9-12-2-4-13(5-3-12)21-16-15-8-20-22-17(15)19-10-18-16/h2-5,8,10,14H,6-7,9H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide?
N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 133316457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).