3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide

C16H24N6O — CID 42099663

IUPAC3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
SMILESCC(C)CC(=O)NCCn1ncc2c(N3CCCC3)ncnc21
InChIInChI=1S/C16H24N6O/c1-12(2)9-14(23)17-5-8-22-16-13(10-20-22)15(18-11-19-16)21-6-3-4-7-21/h10-12H,3-9H2,1-2H3,(H,17,23)
InChIKeyWKWZYKAOELTVCR-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.59
Rot. Bonds6

About 3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide

3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide (PubChem CID 42099663) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
PubChem CID42099663
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
SMILESCC(C)CC(=O)NCCn1ncc2c(N3CCCC3)ncnc21
InChIInChI=1S/C16H24N6O/c1-12(2)9-14(23)17-5-8-22-16-13(10-20-22)15(18-11-19-16)21-6-3-4-7-21/h10-12H,3-9H2,1-2H3,(H,17,23)
InChIKeyWKWZYKAOELTVCR-UHFFFAOYSA-N
XLogP1.59
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-butylurea hydrochloride
CID 71222835
N-(1-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide maleate
CID 71222985
N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide maleate
CID 71222995
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclopentanecarboxamide maleate
CID 71223000
N-(1-(2-(Diisopropylamino)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide hydrochloride
CID 71223119
N-(1-(4-(azepan-1-yl)butyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71223161
1-Ethyl-3-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)urea hydrochloride
CID 71223168
N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclopentanecarboxamide maleate
CID 71223185
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2,2,3,3-tetramethylcyclopropane-carboxamide citrate
CID 71223204
1-Cyclopentyl-3-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)urea hydrochloride
CID 71223206
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71223208
1-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-tert-butylurea hydrochloride
CID 71223250

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide (CID 42099663) is 3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide is CC(C)CC(=O)NCCn1ncc2c(N3CCCC3)ncnc21.
What is the InChIKey of 3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide?
The InChIKey is WKWZYKAOELTVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-12(2)9-14(23)17-5-8-22-16-13(10-20-22)15(18-11-19-16)21-6-3-4-7-21/h10-12H,3-9H2,1-2H3,(H,17,23).
What are the key properties of 3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide?
3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide has a molecular weight of 316.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide is sourced from PubChem (CID 42099663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).