N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide

C21H27N7O — CID 157030003

IUPACN-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1nc(-c2cc3cn(C)nc3cn2)nc2c1CCC2
InChIInChI=1S/C21H27N7O/c1-21(2,3)25-18(29)12-27(4)20-14-7-6-8-15(14)23-19(24-20)16-9-13-11-28(5)26-17(13)10-22-16/h9-11H,6-8,12H2,1-5H3,(H,25,29)
InChIKeyXEFCUFHYMLXHNL-UHFFFAOYSA-N
MW393.50 g/mol
LogP2.26
Rot. Bonds4

About N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide

N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide (PubChem CID 157030003) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
PubChem CID157030003
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC NameN-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1nc(-c2cc3cn(C)nc3cn2)nc2c1CCC2
InChIInChI=1S/C21H27N7O/c1-21(2,3)25-18(29)12-27(4)20-14-7-6-8-15(14)23-19(24-20)16-9-13-11-28(5)26-17(13)10-22-16/h9-11H,6-8,12H2,1-5H3,(H,25,29)
InChIKeyXEFCUFHYMLXHNL-UHFFFAOYSA-N
XLogP2.26
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide (CID 157030003) is N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide is CN(CC(=O)NC(C)(C)C)c1nc(-c2cc3cn(C)nc3cn2)nc2c1CCC2.
What is the InChIKey of N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The InChIKey is XEFCUFHYMLXHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O/c1-21(2,3)25-18(29)12-27(4)20-14-7-6-8-15(14)23-19(24-20)16-9-13-11-28(5)26-17(13)10-22-16/h9-11H,6-8,12H2,1-5H3,(H,25,29).
What are the key properties of N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 393.50 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[2-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 157030003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).