4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C19H22N6O2 — CID 154567572

IUPAC4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(N3CCc4[nH]nc(C5CC5)c4CC3)c12
InChIInChI=1S/C19H22N6O2/c1-10-15-17(13(19(26)27)9-20-18(15)24(2)23-10)25-7-5-12-14(6-8-25)21-22-16(12)11-3-4-11/h9,11H,3-8H2,1-2H3,(H,21,22)(H,26,27)
InChIKeyCJQCNAXCHFMGSD-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.18
Rot. Bonds3

About 4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 154567572) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID154567572
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(N3CCc4[nH]nc(C5CC5)c4CC3)c12
InChIInChI=1S/C19H22N6O2/c1-10-15-17(13(19(26)27)9-20-18(15)24(2)23-10)25-7-5-12-14(6-8-25)21-22-16(12)11-3-4-11/h9,11H,3-8H2,1-2H3,(H,21,22)(H,26,27)
InChIKeyCJQCNAXCHFMGSD-UHFFFAOYSA-N
XLogP2.18
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 154567572) is 4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C)c2ncc(C(=O)O)c(N3CCc4[nH]nc(C5CC5)c4CC3)c12.
What is the InChIKey of 4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is CJQCNAXCHFMGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-10-15-17(13(19(26)27)9-20-18(15)24(2)23-10)25-7-5-12-14(6-8-25)21-22-16(12)11-3-4-11/h9,11H,3-8H2,1-2H3,(H,21,22)(H,26,27).
What are the key properties of 4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 366.43 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 154567572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).