5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C20H28N6O2 — CID 146038954

IUPAC5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCc1cc(CC(C)C)nc(N2CCC(N3CCc4[nH]nc(C(=O)O)c4C3)C2)n1
InChIInChI=1S/C20H28N6O2/c1-12(2)8-14-9-13(3)21-20(22-14)26-6-4-15(10-26)25-7-5-17-16(11-25)18(19(27)28)24-23-17/h9,12,15H,4-8,10-11H2,1-3H3,(H,23,24)(H,27,28)
InChIKeyIIBGVGNIRWSWDX-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.04
Rot. Bonds5

About 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 146038954) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID146038954
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCc1cc(CC(C)C)nc(N2CCC(N3CCc4[nH]nc(C(=O)O)c4C3)C2)n1
InChIInChI=1S/C20H28N6O2/c1-12(2)8-14-9-13(3)21-20(22-14)26-6-4-15(10-26)25-7-5-17-16(11-25)18(19(27)28)24-23-17/h9,12,15H,4-8,10-11H2,1-3H3,(H,23,24)(H,27,28)
InChIKeyIIBGVGNIRWSWDX-UHFFFAOYSA-N
XLogP2.04
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72864885
5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
CID 83915632
3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 75423484
5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 46318260
[1-(4-ethyl-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 69451869
4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine
CID 166271344
2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid
CID 57437203
[4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 31134478
1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
CID 86206865
[6-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541701
2-(3-tert-butylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 107554334
(4-methylpiperazin-1-yl)-[5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 118738799

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 146038954) is 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is Cc1cc(CC(C)C)nc(N2CCC(N3CCc4[nH]nc(C(=O)O)c4C3)C2)n1.
What is the InChIKey of 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is IIBGVGNIRWSWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-12(2)8-14-9-13(3)21-20(22-14)26-6-4-15(10-26)25-7-5-17-16(11-25)18(19(27)28)24-23-17/h9,12,15H,4-8,10-11H2,1-3H3,(H,23,24)(H,27,28).
What are the key properties of 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 384.48 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 146038954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).