N-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide

C20H16F2N6O — CID 178022405

IUPACN-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide
SMILESCc1cc(NC(=O)Cc2cc(F)cc(F)c2)ccc1-n1ncc2ncnc(N)c21
InChIInChI=1S/C20H16F2N6O/c1-11-4-15(27-18(29)7-12-5-13(21)8-14(22)6-12)2-3-17(11)28-19-16(9-26-28)24-10-25-20(19)23/h2-6,8-10H,7H2,1H3,(H,27,29)(H2,23,24,25)
InChIKeyDUINOGCJRHPAPO-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.17
Rot. Bonds4

About N-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide

N-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide (PubChem CID 178022405) has the molecular formula C20H16F2N6O and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide
PubChem CID178022405
Molecular FormulaC20H16F2N6O
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC NameN-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide
SMILESCc1cc(NC(=O)Cc2cc(F)cc(F)c2)ccc1-n1ncc2ncnc(N)c21
InChIInChI=1S/C20H16F2N6O/c1-11-4-15(27-18(29)7-12-5-13(21)8-14(22)6-12)2-3-17(11)28-19-16(9-26-28)24-10-25-20(19)23/h2-6,8-10H,7H2,1H3,(H,27,29)(H2,23,24,25)
InChIKeyDUINOGCJRHPAPO-UHFFFAOYSA-N
XLogP3.17
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine
CID 156646549
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 4798945
3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 134044042
2-(5-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
CID 107337468
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
N-(3,4-dimethylphenyl)-2-pyridin-4-ylacetamide
CID 110697303
2-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylquinazolin-6-yl)acetamide
CID 53140564
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
N-(3,4-difluorophenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 71940458
N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide
CID 110723812
N-(3-amino-4-ethylphenyl)-2-(3-fluorophenyl)acetamide
CID 43550262

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide (CID 178022405) is N-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide is Cc1cc(NC(=O)Cc2cc(F)cc(F)c2)ccc1-n1ncc2ncnc(N)c21.
What is the InChIKey of N-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide?
The InChIKey is DUINOGCJRHPAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O/c1-11-4-15(27-18(29)7-12-5-13(21)8-14(22)6-12)2-3-17(11)28-19-16(9-26-28)24-10-25-20(19)23/h2-6,8-10H,7H2,1H3,(H,27,29)(H2,23,24,25).
What are the key properties of N-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide?
N-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide has a molecular weight of 394.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 178022405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).