2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine

C21H22N8S2 — CID 162492765

IUPAC2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
SMILESC[C@H]1C[C@H](N(C)c2nc3sc(-c4ncc(-n5ccnc5)c5cc[nH]c45)nc3s2)CCN1
InChIInChI=1S/C21H22N8S2/c1-12-9-13(3-5-23-12)28(2)21-27-20-19(31-21)26-18(30-20)17-16-14(4-6-24-16)15(10-25-17)29-8-7-22-11-29/h4,6-8,10-13,23-24H,3,5,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyZBHDYIQTIUJVLT-QWHCGFSZSA-N
MW450.60 g/mol
LogP4.06
Rot. Bonds4

About 2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine

2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 162492765) has the molecular formula C21H22N8S2 and a molecular weight of 450.60 g/mol. Its IUPAC name is 2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID162492765
Molecular FormulaC21H22N8S2
Molecular Weight450.60 g/mol
Exact Mass450.14
IUPAC Name2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
SMILESC[C@H]1C[C@H](N(C)c2nc3sc(-c4ncc(-n5ccnc5)c5cc[nH]c45)nc3s2)CCN1
InChIInChI=1S/C21H22N8S2/c1-12-9-13(3-5-23-12)28(2)21-27-20-19(31-21)26-18(30-20)17-16-14(4-6-24-16)15(10-25-17)29-8-7-22-11-29/h4,6-8,10-13,23-24H,3,5,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyZBHDYIQTIUJVLT-QWHCGFSZSA-N
XLogP4.06
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine with MolForge

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Related Compounds

N-methyl-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 162492630
2-(4-bromo-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492815
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492745
2-(4-chloro-1H-indol-7-yl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyl-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;5-[(2S,4S)-2-methylpiperidin-4-yl]oxy-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 163989294
2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(triazol-1-yl)pyridin-3-ol
CID 162492776
2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol
CID 163772379
5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol
CID 163467376
4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-[(2S,4R)-2-methylpiperidin-4-yl]-1,3-benzothiazol-2-amine;hydrochloride
CID 153383017
2-[5-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride
CID 162492820
4-[3-hydroxy-4-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-1-methylpyridin-2-one;hydrochloride
CID 161192999
N-methyl-N-[(3S)-piperidin-3-yl]-2-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492744
5-imidazol-1-yl-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
CID 150300652

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine (CID 162492765) is 2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine is C[C@H]1C[C@H](N(C)c2nc3sc(-c4ncc(-n5ccnc5)c5cc[nH]c45)nc3s2)CCN1.
What is the InChIKey of 2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is ZBHDYIQTIUJVLT-QWHCGFSZSA-N. The full InChI is InChI=1S/C21H22N8S2/c1-12-9-13(3-5-23-12)28(2)21-27-20-19(31-21)26-18(30-20)17-16-14(4-6-24-16)15(10-25-17)29-8-7-22-11-29/h4,6-8,10-13,23-24H,3,5,9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine?
2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 450.60 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-methyl-N-[(2S,4R)-2-methylpiperidin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 162492765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).