(4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

C10H15N3O2 — CID 28873201

IUPAC(4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)[C@@H]1N[C@H](C(=O)O)Cc2[nH]cnc21
InChIInChI=1S/C10H15N3O2/c1-5(2)8-9-6(11-4-12-9)3-7(13-8)10(14)15/h4-5,7-8,13H,3H2,1-2H3,(H,11,12)(H,14,15)/t7-,8-/m0/s1
InChIKeyGESXGYCBLIFERX-YUMQZZPRSA-N
MW209.25 g/mol
LogP0.71
Rot. Bonds2

About (4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

(4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 28873201) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID28873201
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)[C@@H]1N[C@H](C(=O)O)Cc2[nH]cnc21
InChIInChI=1S/C10H15N3O2/c1-5(2)8-9-6(11-4-12-9)3-7(13-8)10(14)15/h4-5,7-8,13H,3H2,1-2H3,(H,11,12)(H,14,15)/t7-,8-/m0/s1
InChIKeyGESXGYCBLIFERX-YUMQZZPRSA-N
XLogP0.71
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

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Related Compounds

4,5,6,7-Tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid
CID 363935
(6S)-4,5,6,7-Tetrahydro-3H-imidazo(4,5-c)pyridine-6-carboxylic acid
CID 162899
(4S,6S)-4-(2-Carboxyethyl)-4,5,6,7-tetrahydro-3H-imidazo(4,5-c)pyridine-4,6-dicarboxylic acid
CID 441561
1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid hydrochloride
CID 2771116
Mikimopine
CID 372973
5-((tert-butoxy)carbonyl)-3H,4H,5H,6H,7H-imidazo(4,5-c)pyridine-6-carboxylic acid
CID 3159376
3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 4,5,6,7-tetrahydro-
CID 78435402
CID 14258433
CID 14258433
(5S,9aR)-7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid
CID 14258436
4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic acid
CID 11030183
(6R)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 1548287
4-Phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 2771117

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 28873201) is (4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is CC(C)[C@@H]1N[C@H](C(=O)O)Cc2[nH]cnc21.
What is the InChIKey of (4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is GESXGYCBLIFERX-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-5(2)8-9-6(11-4-12-9)3-7(13-8)10(14)15/h4-5,7-8,13H,3H2,1-2H3,(H,11,12)(H,14,15)/t7-,8-/m0/s1.
What are the key properties of (4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
(4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 28873201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).