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

C12H17N3O3 — CID 121435516

IUPAC(6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESC[C@H]1Cc2[nH]nc(C3CCCO3)c2CN1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-7-5-9-8(6-15(7)12(16)17)11(14-13-9)10-3-2-4-18-10/h7,10H,2-6H2,1H3,(H,13,14)(H,16,17)/t7-,10?/m0/s1
InChIKeyPDVADAFKRLZZTO-BYDSUWOYSA-N
MW251.29 g/mol
LogP1.69
Rot. Bonds1

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

(6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 121435516) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name(6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID121435516
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESC[C@H]1Cc2[nH]nc(C3CCCO3)c2CN1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-7-5-9-8(6-15(7)12(16)17)11(14-13-9)10-3-2-4-18-10/h7,10H,2-6H2,1H3,(H,13,14)(H,16,17)/t7-,10?/m0/s1
InChIKeyPDVADAFKRLZZTO-BYDSUWOYSA-N
XLogP1.69
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of (6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 121435516) is (6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for (6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for (6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is C[C@H]1Cc2[nH]nc(C3CCCO3)c2CN1C(=O)O.
What is the InChIKey of (6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is PDVADAFKRLZZTO-BYDSUWOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-5-9-8(6-15(7)12(16)17)11(14-13-9)10-3-2-4-18-10/h7,10H,2-6H2,1H3,(H,13,14)(H,16,17)/t7-,10?/m0/s1.
What are the key properties of (6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
(6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 121435516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).