5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C18H21N7O2 — CID 177302994

IUPAC5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)n1nc(C(=O)O)c2c1CCN(c1ncc(-c3nccn3C)cn1)C2
InChIInChI=1S/C18H21N7O2/c1-11(2)25-14-4-6-24(10-13(14)15(22-25)17(26)27)18-20-8-12(9-21-18)16-19-5-7-23(16)3/h5,7-9,11H,4,6,10H2,1-3H3,(H,26,27)
InChIKeyQNCHZRVUYNBKNG-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.92
Rot. Bonds4

About 5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 177302994) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID177302994
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)n1nc(C(=O)O)c2c1CCN(c1ncc(-c3nccn3C)cn1)C2
InChIInChI=1S/C18H21N7O2/c1-11(2)25-14-4-6-24(10-13(14)15(22-25)17(26)27)18-20-8-12(9-21-18)16-19-5-7-23(16)3/h5,7-9,11H,4,6,10H2,1-3H3,(H,26,27)
InChIKeyQNCHZRVUYNBKNG-UHFFFAOYSA-N
XLogP1.92
TPSA101.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-[3-(1H-imidazol-1-yl)propanoyl]-1-(3-methylbutyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56708549
5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 137335186
5-[5-fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154564026
1-ethyl-5-{methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 56701037
1-(cyclopropylmethyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56705435
5-[3-(1H-benzimidazol-1-yl)propanoyl]-1-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56722650
3-(2-Imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid
CID 59722821
1-Imidazo[1,2-a]pyridin-6-yl-3-propan-2-ylpyrazole-5-carboxylic acid
CID 70655603
3-Tert-butyl-1-imidazo[1,2-a]pyridin-6-ylpyrazole-5-carboxylic acid
CID 70655711
5-[1-(1,5-Dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid
CID 141038824
2-Methyl-3-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 155071778
3-(1,4-Dimethylpyrazol-5-yl)-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 155071784

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 177302994) is 5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CC(C)n1nc(C(=O)O)c2c1CCN(c1ncc(-c3nccn3C)cn1)C2.
What is the InChIKey of 5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is QNCHZRVUYNBKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-11(2)25-14-4-6-24(10-13(14)15(22-25)17(26)27)18-20-8-12(9-21-18)16-19-5-7-23(16)3/h5,7-9,11H,4,6,10H2,1-3H3,(H,26,27).
What are the key properties of 5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 367.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 177302994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).