2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

C19H25N7O — CID 75397563

IUPAC2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CC2CCCN2c2ncnc3c2cnn3C(C)(C)C)cn1
InChIInChI=1S/C19H25N7O/c1-19(2,3)26-18-15(10-23-26)17(20-12-21-18)25-7-5-6-14(25)8-16(27)13-9-22-24(4)11-13/h9-12,14H,5-8H2,1-4H3
InChIKeyZDQCUNJUUMBMTD-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.56
Rot. Bonds4

About 2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 75397563) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID75397563
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CC2CCCN2c2ncnc3c2cnn3C(C)(C)C)cn1
InChIInChI=1S/C19H25N7O/c1-19(2,3)26-18-15(10-23-26)17(20-12-21-18)25-7-5-6-14(25)8-16(27)13-9-22-24(4)11-13/h9-12,14H,5-8H2,1-4H3
InChIKeyZDQCUNJUUMBMTD-UHFFFAOYSA-N
XLogP2.56
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 75397563) is 2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(=O)CC2CCCN2c2ncnc3c2cnn3C(C)(C)C)cn1.
What is the InChIKey of 2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is ZDQCUNJUUMBMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-19(2,3)26-18-15(10-23-26)17(20-12-21-18)25-7-5-6-14(25)8-16(27)13-9-22-24(4)11-13/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 367.46 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 75397563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).