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N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide

C26H27FN8O2 — CID 157029408

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)nc1)c1nc(-c2cc3cnn(C4CCCCO4)c3cn2)nc2c1CCC2
InChIInChI=1S/C26H27FN8O2/c1-34(15-23(36)31-17-8-9-22(27)29-13-17)26-18-5-4-6-19(18)32-25(33-26)20-11-16-12-30-35(21(16)14-28-20)24-7-2-3-10-37-24/h8-9,11-14,24H,2-7,10,15H2,1H3,(H,31,36)
InChIKeyIKRSQYBZTHAMGV-UHFFFAOYSA-N
MW502.55 g/mol
LogP3.69
Rot. Bonds6

About N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide

N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide (PubChem CID 157029408) has the molecular formula C26H27FN8O2 and a molecular weight of 502.55 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
PubChem CID157029408
Molecular FormulaC26H27FN8O2
Molecular Weight502.55 g/mol
Exact Mass502.22
IUPAC NameN-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)nc1)c1nc(-c2cc3cnn(C4CCCCO4)c3cn2)nc2c1CCC2
InChIInChI=1S/C26H27FN8O2/c1-34(15-23(36)31-17-8-9-22(27)29-13-17)26-18-5-4-6-19(18)32-25(33-26)20-11-16-12-30-35(21(16)14-28-20)24-7-2-3-10-37-24/h8-9,11-14,24H,2-7,10,15H2,1H3,(H,31,36)
InChIKeyIKRSQYBZTHAMGV-UHFFFAOYSA-N
XLogP3.69
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide (CID 157029408) is N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide is CN(CC(=O)Nc1ccc(F)nc1)c1nc(-c2cc3cnn(C4CCCCO4)c3cn2)nc2c1CCC2.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The InChIKey is IKRSQYBZTHAMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8O2/c1-34(15-23(36)31-17-8-9-22(27)29-13-17)26-18-5-4-6-19(18)32-25(33-26)20-11-16-12-30-35(21(16)14-28-20)24-7-2-3-10-37-24/h8-9,11-14,24H,2-7,10,15H2,1H3,(H,31,36).
What are the key properties of N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 502.55 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 157029408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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