2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole

C18H19N7S — CID 56721119

IUPAC2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole
SMILESCn1cc(C2c3nc[nH]c3CCN2Cc2cccn2-c2nccs2)cn1
InChIInChI=1S/C18H19N7S/c1-23-10-13(9-22-23)17-16-15(20-12-21-16)4-7-24(17)11-14-3-2-6-25(14)18-19-5-8-26-18/h2-3,5-6,8-10,12,17H,4,7,11H2,1H3,(H,20,21)
InChIKeyYWKVOFDMNPKIQP-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.54
Rot. Bonds4

About 2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole

2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole (PubChem CID 56721119) has the molecular formula C18H19N7S and a molecular weight of 365.47 g/mol. Its IUPAC name is 2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole
PubChem CID56721119
Molecular FormulaC18H19N7S
Molecular Weight365.47 g/mol
Exact Mass365.14
IUPAC Name2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole
SMILESCn1cc(C2c3nc[nH]c3CCN2Cc2cccn2-c2nccs2)cn1
InChIInChI=1S/C18H19N7S/c1-23-10-13(9-22-23)17-16-15(20-12-21-16)4-7-24(17)11-14-3-2-6-25(14)18-19-5-8-26-18/h2-3,5-6,8-10,12,17H,4,7,11H2,1H3,(H,20,21)
InChIKeyYWKVOFDMNPKIQP-UHFFFAOYSA-N
XLogP2.54
TPSA67.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole with MolForge

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Related Compounds

N-(2-aminoethyl)-12-methyl-4-(1H-pyrazol-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093431
N-cyclohexyl-6-(1H-indazol-5-yl)imidazo[2,1-b]thiazol-5-amine
CID 25166869
1-(6-chloroimidazo[2,1-b]thiazol-5-ylsulfonyl)-6-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine
CID 45272463
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 56592635
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657801
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657814
5-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole
CID 118525835
US10138245, Example 8
CID 129051760
US9096589, 8-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67257821
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-4-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258734
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 71007274
US8927738, 5,8-Dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 71059830

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole (CID 56721119) is 2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole is Cn1cc(C2c3nc[nH]c3CCN2Cc2cccn2-c2nccs2)cn1.
What is the InChIKey of 2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole?
The InChIKey is YWKVOFDMNPKIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7S/c1-23-10-13(9-22-23)17-16-15(20-12-21-16)4-7-24(17)11-14-3-2-6-25(14)18-19-5-8-26-18/h2-3,5-6,8-10,12,17H,4,7,11H2,1H3,(H,20,21).
What are the key properties of 2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole?
2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole has a molecular weight of 365.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]pyrrol-1-yl]-1,3-thiazole is sourced from PubChem (CID 56721119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).