N-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide

C14H20N6O — CID 70772230

IUPACN-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(c2nc(C)nc3c2c(C)nn3C)C1
InChIInChI=1S/C14H20N6O/c1-8-12-13(19(4)18-8)15-9(2)16-14(12)20-6-5-11(7-20)17-10(3)21/h11H,5-7H2,1-4H3,(H,17,21)/t11-/m0/s1
InChIKeyRAPSMHQPMHWRMN-NSHDSACASA-N
MW288.35 g/mol
LogP0.69
Rot. Bonds2

About N-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide

N-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide (PubChem CID 70772230) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
PubChem CID70772230
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(c2nc(C)nc3c2c(C)nn3C)C1
InChIInChI=1S/C14H20N6O/c1-8-12-13(19(4)18-8)15-9(2)16-14(12)20-6-5-11(7-20)17-10(3)21/h11H,5-7H2,1-4H3,(H,17,21)/t11-/m0/s1
InChIKeyRAPSMHQPMHWRMN-NSHDSACASA-N
XLogP0.69
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide with MolForge

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Related Compounds

N-[1-(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 70707695
N-[1-(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 70720768
1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70722674
1,3-dimethyl-N-(1H-tetrazol-5-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899250
N,N-diethyl-N'-(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,2-ethanediamine
CID 70716744
8-(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70731533
(1S*,6R*)-9-(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 70737291
1-butyl-4-(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-piperazinone
CID 70757842
1-(5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-5-one
CID 75421993
1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95871545
N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 95882675
(4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 95894684

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide (CID 70772230) is N-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCN(c2nc(C)nc3c2c(C)nn3C)C1.
What is the InChIKey of N-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is RAPSMHQPMHWRMN-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N6O/c1-8-12-13(19(4)18-8)15-9(2)16-14(12)20-6-5-11(7-20)17-10(3)21/h11H,5-7H2,1-4H3,(H,17,21)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
N-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70772230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).