4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide

C23H26N8O2S — CID 46893316

IUPAC4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc(Nc2nc(Sc3ccc(C(=O)NCCN4CCOCC4)cc3)cc3nccn23)n[nH]1
InChIInChI=1S/C23H26N8O2S/c1-16-14-19(29-28-16)26-23-27-21(15-20-24-7-9-31(20)23)34-18-4-2-17(3-5-18)22(32)25-6-8-30-10-12-33-13-11-30/h2-5,7,9,14-15H,6,8,10-13H2,1H3,(H,25,32)(H2,26,27,28,29)
InChIKeyLDPMKRYVUOZPDX-UHFFFAOYSA-N
MW478.58 g/mol
LogP2.72
Rot. Bonds8

About 4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide

4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 46893316) has the molecular formula C23H26N8O2S and a molecular weight of 478.58 g/mol. Its IUPAC name is 4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID46893316
Molecular FormulaC23H26N8O2S
Molecular Weight478.58 g/mol
Exact Mass478.19
IUPAC Name4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc(Nc2nc(Sc3ccc(C(=O)NCCN4CCOCC4)cc3)cc3nccn23)n[nH]1
InChIInChI=1S/C23H26N8O2S/c1-16-14-19(29-28-16)26-23-27-21(15-20-24-7-9-31(20)23)34-18-4-2-17(3-5-18)22(32)25-6-8-30-10-12-33-13-11-30/h2-5,7,9,14-15H,6,8,10-13H2,1H3,(H,25,32)(H2,26,27,28,29)
InChIKeyLDPMKRYVUOZPDX-UHFFFAOYSA-N
XLogP2.72
TPSA112.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide with MolForge

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Related Compounds

4-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 70005435
2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)pyrrolo[1,2-a][1,3,5]triazine-6-carboxamide
CID 66985008
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide
CID 109167966
4-N-(2-morpholin-4-ylethyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078221
2-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167956
2-N-(2,6-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083750
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083732
2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 117088266
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109078417
1-[2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]sulfanylanilino]-2-oxoethyl]-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 67297784

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide (CID 46893316) is 4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1cc(Nc2nc(Sc3ccc(C(=O)NCCN4CCOCC4)cc3)cc3nccn23)n[nH]1.
What is the InChIKey of 4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is LDPMKRYVUOZPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2S/c1-16-14-19(29-28-16)26-23-27-21(15-20-24-7-9-31(20)23)34-18-4-2-17(3-5-18)22(32)25-6-8-30-10-12-33-13-11-30/h2-5,7,9,14-15H,6,8,10-13H2,1H3,(H,25,32)(H2,26,27,28,29).
What are the key properties of 4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide?
4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 478.58 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 46893316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).