2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride

C16H15ClFN7OS — CID 172915744

IUPAC2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride
SMILESCl.O=C1N(c2ccns2)Cc2nc(-c3ccc(N4CC[C@H](F)C4)nc3)nn21
InChIInChI=1S/C16H14FN7OS.ClH/c17-11-4-6-22(8-11)12-2-1-10(7-18-12)15-20-13-9-23(14-3-5-19-26-14)16(25)24(13)21-15;/h1-3,5,7,11H,4,6,8-9H2;1H/t11-;/m0./s1
InChIKeyVAUVAMWNADSVFX-MERQFXBCSA-N
MW407.86 g/mol
LogP2.75
Rot. Bonds3

About 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride

2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride (PubChem CID 172915744) has the molecular formula C16H15ClFN7OS and a molecular weight of 407.86 g/mol. Its IUPAC name is 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride.

Molecular Properties

Compound Name2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride
PubChem CID172915744
Molecular FormulaC16H15ClFN7OS
Molecular Weight407.86 g/mol
Exact Mass407.07
IUPAC Name2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride
SMILESCl.O=C1N(c2ccns2)Cc2nc(-c3ccc(N4CC[C@H](F)C4)nc3)nn21
InChIInChI=1S/C16H14FN7OS.ClH/c17-11-4-6-22(8-11)12-2-1-10(7-18-12)15-20-13-9-23(14-3-5-19-26-14)16(25)24(13)21-15;/h1-3,5,7,11H,4,6,8-9H2;1H/t11-;/m0./s1
InChIKeyVAUVAMWNADSVFX-MERQFXBCSA-N
XLogP2.75
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride with MolForge

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Related Compounds

6-[1-(2-iodoethyl)pyrazol-3-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one
CID 174331655
1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one
CID 146272225
2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one
CID 176706302
6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde
CID 165460442
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide
CID 171545627
1-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine
CID 172595362
2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 175548729
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyridinyl]-5-pyridin-3-yl-4H-imidazo[5,1-e]pyrazol-6-one;hydrochloride
CID 168879122
2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 171545633
1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine
CID 172595458
6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine
CID 158969023
5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 174034328

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride?
The IUPAC name of 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride (CID 172915744) is 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride.
What is the SMILES notation for 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride?
The canonical SMILES for 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride is Cl.O=C1N(c2ccns2)Cc2nc(-c3ccc(N4CC[C@H](F)C4)nc3)nn21.
What is the InChIKey of 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride?
The InChIKey is VAUVAMWNADSVFX-MERQFXBCSA-N. The full InChI is InChI=1S/C16H14FN7OS.ClH/c17-11-4-6-22(8-11)12-2-1-10(7-18-12)15-20-13-9-23(14-3-5-19-26-14)16(25)24(13)21-15;/h1-3,5,7,11H,4,6,8-9H2;1H/t11-;/m0./s1.
What are the key properties of 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride?
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride has a molecular weight of 407.86 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride is sourced from PubChem (CID 172915744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).