N-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide

C24H34N8O3S — CID 56661576

IUPACN-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
InChIInChI=1S/C24H34N8O3S/c1-36(33,34)31(11-10-30-12-14-35-15-13-30)22-9-8-20(18-25-22)28-24-26-16-19-17-27-32(23(19)29-24)21-6-4-2-3-5-7-21/h8-9,16-18,21H,2-7,10-15H2,1H3,(H,26,28,29)
InChIKeyLDNQAJNFIYSIHK-UHFFFAOYSA-N
MW514.66 g/mol
LogP2.96
Rot. Bonds8

About N-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide

N-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide (PubChem CID 56661576) has the molecular formula C24H34N8O3S and a molecular weight of 514.66 g/mol. Its IUPAC name is N-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
PubChem CID56661576
Molecular FormulaC24H34N8O3S
Molecular Weight514.66 g/mol
Exact Mass514.25
IUPAC NameN-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
InChIInChI=1S/C24H34N8O3S/c1-36(33,34)31(11-10-30-12-14-35-15-13-30)22-9-8-20(18-25-22)28-24-26-16-19-17-27-32(23(19)29-24)21-6-4-2-3-5-7-21/h8-9,16-18,21H,2-7,10-15H2,1H3,(H,26,28,29)
InChIKeyLDNQAJNFIYSIHK-UHFFFAOYSA-N
XLogP2.96
TPSA118.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.66
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide 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

Bay-41-8543
CID 9953906
1-Methyl-3-{4-[4-morpholin-4-yl-1-(1-pyridin-3-ylmethyl-piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl}-urea
CID 25260915
Pyrazolo pyrimidine, 24
CID 44233639
Imidazo[1,2-b]pyridazine deriv. 2c
CID 6539039
Wye-687
CID 25229450
Pyrazolo pyrimidine, 7
CID 44232914
Pyrazolo pyrimidine, 17
CID 44233164
N-{5-[(1-Cycloheptyl-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl)amino]pyridin-2-Yl}methanesulfonamide
CID 53308640
US9266891, III-19
CID 90161075
6-[1-[(2S)-1-methoxypropan-2-yl]-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 118067807
N-[1-(2-ethoxyethyl)-3-ethyl-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]pyridin-2-amine
CID 11560313
5-[4-(Aminomethyl)-1-piperidinyl]-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11568346

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The IUPAC name of N-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide (CID 56661576) is N-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide.
What is the SMILES notation for N-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The canonical SMILES for N-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide is CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1.
What is the InChIKey of N-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The InChIKey is LDNQAJNFIYSIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8O3S/c1-36(33,34)31(11-10-30-12-14-35-15-13-30)22-9-8-20(18-25-22)28-24-26-16-19-17-27-32(23(19)29-24)21-6-4-2-3-5-7-21/h8-9,16-18,21H,2-7,10-15H2,1H3,(H,26,28,29).
What are the key properties of N-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide?
N-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide has a molecular weight of 514.66 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide is sourced from PubChem (CID 56661576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).