4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide

C21H26N8O — CID 121452565

IUPAC4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccc3c(c2)CCC3)CCN1c1nc(N)nc2c1cnn2C
InChIInChI=1S/C21H26N8O/c1-13-12-28(21(30)24-16-7-6-14-4-3-5-15(14)10-16)8-9-29(13)19-17-11-23-27(2)18(17)25-20(22)26-19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,24,30)(H2,22,25,26)
InChIKeyUALJRLWUSPNHBY-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.18
Rot. Bonds2

About 4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide

4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide (PubChem CID 121452565) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide
PubChem CID121452565
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccc3c(c2)CCC3)CCN1c1nc(N)nc2c1cnn2C
InChIInChI=1S/C21H26N8O/c1-13-12-28(21(30)24-16-7-6-14-4-3-5-15(14)10-16)8-9-29(13)19-17-11-23-27(2)18(17)25-20(22)26-19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,24,30)(H2,22,25,26)
InChIKeyUALJRLWUSPNHBY-UHFFFAOYSA-N
XLogP2.18
TPSA105.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide?
The IUPAC name of 4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide (CID 121452565) is 4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide is CC1CN(C(=O)Nc2ccc3c(c2)CCC3)CCN1c1nc(N)nc2c1cnn2C.
What is the InChIKey of 4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide?
The InChIKey is UALJRLWUSPNHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c1-13-12-28(21(30)24-16-7-6-14-4-3-5-15(14)10-16)8-9-29(13)19-17-11-23-27(2)18(17)25-20(22)26-19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,24,30)(H2,22,25,26).
What are the key properties of 4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide?
4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazine-1-carboxamide is sourced from PubChem (CID 121452565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).