N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide

C11H13ClN6O — CID 113402563

IUPACN-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(Cl)nc3[nH]ncc23)C1
InChIInChI=1S/C11H13ClN6O/c1-6(19)14-7-2-3-18(5-7)10-8-4-13-17-9(8)15-11(12)16-10/h4,7H,2-3,5H2,1H3,(H,14,19)(H,13,15,16,17)
InChIKeyVWLPZLGPBSZNKJ-UHFFFAOYSA-N
MW280.72 g/mol
LogP0.72
Rot. Bonds2

About N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide

N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide (PubChem CID 113402563) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
PubChem CID113402563
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC NameN-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(Cl)nc3[nH]ncc23)C1
InChIInChI=1S/C11H13ClN6O/c1-6(19)14-7-2-3-18(5-7)10-8-4-13-17-9(8)15-11(12)16-10/h4,7H,2-3,5H2,1H3,(H,14,19)(H,13,15,16,17)
InChIKeyVWLPZLGPBSZNKJ-UHFFFAOYSA-N
XLogP0.72
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 138033621
N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 113402560
tert-butyl N-[(3S)-1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 171108310
[1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 178104863
N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide
CID 138005845
4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 39782435
4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885486
6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 83056224
N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide
CID 167907740
N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]acetamide
CID 113402030
tert-butyl N-[(3S)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate
CID 133380878
N-[1-(4-aminophenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 21087634

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide (CID 113402563) is N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2nc(Cl)nc3[nH]ncc23)C1.
What is the InChIKey of N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is VWLPZLGPBSZNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O/c1-6(19)14-7-2-3-18(5-7)10-8-4-13-17-9(8)15-11(12)16-10/h4,7H,2-3,5H2,1H3,(H,14,19)(H,13,15,16,17).
What are the key properties of N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 280.72 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 113402563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).