(3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid

C16H19N5O3 — CID 133133153

IUPAC(3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
SMILESCc1cnc2c(C(=O)N3C[C@H]4CN(C)C[C@@]4(C(=O)O)C3)cnn2c1
InChIInChI=1S/C16H19N5O3/c1-10-3-17-13-12(4-18-21(13)5-10)14(22)20-7-11-6-19(2)8-16(11,9-20)15(23)24/h3-5,11H,6-9H2,1-2H3,(H,23,24)/t11-,16-/m1/s1
InChIKeyDYEOXWCWWWXJOW-BDJLRTHQSA-N
MW329.36 g/mol
LogP0.13
Rot. Bonds2

About (3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid

(3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid (PubChem CID 133133153) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid.

Molecular Properties

Compound Name(3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
PubChem CID133133153
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
SMILESCc1cnc2c(C(=O)N3C[C@H]4CN(C)C[C@@]4(C(=O)O)C3)cnn2c1
InChIInChI=1S/C16H19N5O3/c1-10-3-17-13-12(4-18-21(13)5-10)14(22)20-7-11-6-19(2)8-16(11,9-20)15(23)24/h3-5,11H,6-9H2,1-2H3,(H,23,24)/t11-,16-/m1/s1
InChIKeyDYEOXWCWWWXJOW-BDJLRTHQSA-N
XLogP0.13
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid with MolForge

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Related Compounds

(3aS,6aS)-5-(2-methoxycarbonylbenzoyl)-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50970769
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014027
(2R)-N-cyclopentyl-2-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)morpholine-2-carboxamide
CID 92632661
(3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide
CID 92632456
(3aS,6aS)-2-methyl-5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50975419
N,N-dimethyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide
CID 92633808
N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide
CID 92633814
4-[[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]methyl]benzoic acid
CID 95721678
(3aS,7aR)-2-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]-5-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 72907773
(3aS,6aS)-5-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50959454
methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129298169
3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 124941306

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid?
The IUPAC name of (3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid (CID 133133153) is (3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid.
What is the SMILES notation for (3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid?
The canonical SMILES for (3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid is Cc1cnc2c(C(=O)N3C[C@H]4CN(C)C[C@@]4(C(=O)O)C3)cnn2c1.
What is the InChIKey of (3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid?
The InChIKey is DYEOXWCWWWXJOW-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-3-17-13-12(4-18-21(13)5-10)14(22)20-7-11-6-19(2)8-16(11,9-20)15(23)24/h3-5,11H,6-9H2,1-2H3,(H,23,24)/t11-,16-/m1/s1.
What are the key properties of (3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid?
(3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-2-methyl-5-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid is sourced from PubChem (CID 133133153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).