N-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide

C32H32N8O3S — CID 77261312

IUPACN-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cccnc1N1C2CCC1CC(c1nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c1S(C)(=O)=O)C2
InChIInChI=1S/C32H32N8O3S/c1-19(41)37-27-9-6-14-34-32(27)39-23-11-12-24(39)16-22(15-23)28-29(44(2,42)43)30(33)40-31(38-28)25(18-36-40)21-10-13-26(35-17-21)20-7-4-3-5-8-20/h3-10,13-14,17-18,22-24H,11-12,15-16,33H2,1-2H3,(H,37,41)
InChIKeyORGJJMBMGFRMTM-UHFFFAOYSA-N
MW608.73 g/mol
LogP4.71
Rot. Bonds6

About N-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide

N-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide (PubChem CID 77261312) has the molecular formula C32H32N8O3S and a molecular weight of 608.73 g/mol. Its IUPAC name is N-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide
PubChem CID77261312
Molecular FormulaC32H32N8O3S
Molecular Weight608.73 g/mol
Exact Mass608.23
IUPAC NameN-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cccnc1N1C2CCC1CC(c1nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c1S(C)(=O)=O)C2
InChIInChI=1S/C32H32N8O3S/c1-19(41)37-27-9-6-14-34-32(27)39-23-11-12-24(39)16-22(15-23)28-29(44(2,42)43)30(33)40-31(38-28)25(18-36-40)21-10-13-26(35-17-21)20-7-4-3-5-8-20/h3-10,13-14,17-18,22-24H,11-12,15-16,33H2,1-2H3,(H,37,41)
InChIKeyORGJJMBMGFRMTM-UHFFFAOYSA-N
XLogP4.71
TPSA148.47 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.73
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide?
The IUPAC name of N-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide (CID 77261312) is N-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide is CC(=O)Nc1cccnc1N1C2CCC1CC(c1nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c1S(C)(=O)=O)C2.
What is the InChIKey of N-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide?
The InChIKey is ORGJJMBMGFRMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N8O3S/c1-19(41)37-27-9-6-14-34-32(27)39-23-11-12-24(39)16-22(15-23)28-29(44(2,42)43)30(33)40-31(38-28)25(18-36-40)21-10-13-26(35-17-21)20-7-4-3-5-8-20/h3-10,13-14,17-18,22-24H,11-12,15-16,33H2,1-2H3,(H,37,41).
What are the key properties of N-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide?
N-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide has a molecular weight of 608.73 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 77261312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).