2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide

C27H26N8O2 — CID 163751772

IUPAC2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide
SMILESCn1nc(-c2ccccc2)cc1CC(=O)Nc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1
InChIInChI=1S/C27H26N8O2/c1-34-21(15-22(33-34)18-5-3-2-4-6-18)16-23(36)30-20-9-7-19(8-10-20)25-31-24-26(32-25)28-17-29-27(24)35-11-13-37-14-12-35/h2-10,15,17H,11-14,16H2,1H3,(H,30,36)(H,28,29,31,32)
InChIKeyIFQJZOXTXSZFIO-UHFFFAOYSA-N
MW494.56 g/mol
LogP3.44
Rot. Bonds6

About 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide

2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide (PubChem CID 163751772) has the molecular formula C27H26N8O2 and a molecular weight of 494.56 g/mol. Its IUPAC name is 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide
PubChem CID163751772
Molecular FormulaC27H26N8O2
Molecular Weight494.56 g/mol
Exact Mass494.22
IUPAC Name2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide
SMILESCn1nc(-c2ccccc2)cc1CC(=O)Nc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1
InChIInChI=1S/C27H26N8O2/c1-34-21(15-22(33-34)18-5-3-2-4-6-18)16-23(36)30-20-9-7-19(8-10-20)25-31-24-26(32-25)28-17-29-27(24)35-11-13-37-14-12-35/h2-10,15,17H,11-14,16H2,1H3,(H,30,36)(H,28,29,31,32)
InChIKeyIFQJZOXTXSZFIO-UHFFFAOYSA-N
XLogP3.44
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 163751773
N-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-2-(1-methyl-3-phenylpyrazol-5-yl)acetamide
CID 163740827
N-[4-[4-[2-[5-[5-[2-[4-(6-morpholin-4-yl-7H-purin-8-yl)anilino]-2-oxoethyl]-1H-pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide
CID 167040161
N-(4-morpholin-4-ylphenyl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063679
2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 171431506
N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide
CID 117078785
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122356821
2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 140538831
2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)urea;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)acetamide;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(5-pyridin-3-yl-1H-pyrazol-3-yl)urea;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-propan-2-ylphenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)urea
CID 163811885
N-(4-morpholin-4-ylphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)acetamide
CID 166351501
2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 121038811
ethane;N-[4-[[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]carbamoylamino]phenyl]but-2-ynamide
CID 167469014

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide?
The IUPAC name of 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide (CID 163751772) is 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide?
The canonical SMILES for 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide is Cn1nc(-c2ccccc2)cc1CC(=O)Nc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1.
What is the InChIKey of 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide?
The InChIKey is IFQJZOXTXSZFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O2/c1-34-21(15-22(33-34)18-5-3-2-4-6-18)16-23(36)30-20-9-7-19(8-10-20)25-31-24-26(32-25)28-17-29-27(24)35-11-13-37-14-12-35/h2-10,15,17H,11-14,16H2,1H3,(H,30,36)(H,28,29,31,32).
What are the key properties of 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide?
2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide has a molecular weight of 494.56 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-phenylpyrazol-5-yl)-N-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]acetamide is sourced from PubChem (CID 163751772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).