1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one

C24H24BrN7O — CID 58173288

IUPAC1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESNc1c(Br)c(N2CCC(N3CCCC3=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H24BrN7O/c25-21-22(26)32-23(18(14-28-32)16-12-15-4-1-2-5-19(15)27-13-16)29-24(21)30-10-7-17(8-11-30)31-9-3-6-20(31)33/h1-2,4-5,12-14,17H,3,6-11,26H2
InChIKeyWIXOQRTXIXKIBT-UHFFFAOYSA-N
MW506.41 g/mol
LogP3.88
Rot. Bonds3

About 1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 58173288) has the molecular formula C24H24BrN7O and a molecular weight of 506.41 g/mol. Its IUPAC name is 1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID58173288
Molecular FormulaC24H24BrN7O
Molecular Weight506.41 g/mol
Exact Mass505.12
IUPAC Name1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESNc1c(Br)c(N2CCC(N3CCCC3=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H24BrN7O/c25-21-22(26)32-23(18(14-28-32)16-12-15-4-1-2-5-19(15)27-13-16)29-24(21)30-10-7-17(8-11-30)31-9-3-6-20(31)33/h1-2,4-5,12-14,17H,3,6-11,26H2
InChIKeyWIXOQRTXIXKIBT-UHFFFAOYSA-N
XLogP3.88
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
(R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11538251
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379501
1-(4-Piperidylmethyl)-3-(3-quinolyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 68263732
Tas-121
CID 71682991
1-[(3R)-3-[4-amino-3-(1-methylindol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 137348469
N-(1-ethyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
CID 663834
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide
CID 664677
N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
CID 665225
N-(1-ethyl-6-methyl-3-pyrazolo[3,4-b]quinolinyl)-4-pyridinecarboxamide
CID 665280
1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905200

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one (CID 58173288) is 1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one is Nc1c(Br)c(N2CCC(N3CCCC3=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is WIXOQRTXIXKIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN7O/c25-21-22(26)32-23(18(14-28-32)16-12-15-4-1-2-5-19(15)27-13-16)29-24(21)30-10-7-17(8-11-30)31-9-3-6-20(31)33/h1-2,4-5,12-14,17H,3,6-11,26H2.
What are the key properties of 1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 506.41 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 58173288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).