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

C22H25ClN8S2 — CID 162492630

IUPACN-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
SMILESC[C@H]1C[C@@H](N(C)c2nc3sc(-c4ncc(-c5cnn(C)c5)c5cc[nH]c45)nc3s2)CCN1.Cl
InChIInChI=1S/C22H24N8S2.ClH/c1-12-8-14(4-6-23-12)30(3)22-28-21-20(32-22)27-19(31-21)18-17-15(5-7-24-17)16(10-25-18)13-9-26-29(2)11-13;/h5,7,9-12,14,23-24H,4,6,8H2,1-3H3;1H/t12-,14-;/m0./s1
InChIKeyPJCUOPHTLOIRAG-KYSPHBLOSA-N
MW501.09 g/mol
LogP4.70
Rot. Bonds4

About 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

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 (PubChem CID 162492630) has the molecular formula C22H25ClN8S2 and a molecular weight of 501.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID162492630
Molecular FormulaC22H25ClN8S2
Molecular Weight501.09 g/mol
Exact Mass500.13
IUPAC NameN-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
SMILESC[C@H]1C[C@@H](N(C)c2nc3sc(-c4ncc(-c5cnn(C)c5)c5cc[nH]c45)nc3s2)CCN1.Cl
InChIInChI=1S/C22H24N8S2.ClH/c1-12-8-14(4-6-23-12)30(3)22-28-21-20(32-22)27-19(31-21)18-17-15(5-7-24-17)16(10-25-18)13-9-26-29(2)11-13;/h5,7,9-12,14,23-24H,4,6,8H2,1-3H3;1H/t12-,14-;/m0./s1
InChIKeyPJCUOPHTLOIRAG-KYSPHBLOSA-N
XLogP4.70
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.09
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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-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
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
N-methyl-2-[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 162492714
2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 153383835
N-(1,2-dimethylpiperidin-4-yl)-N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 163921856
5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 162492840
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-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
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
5-(1,8-diazaspiro[3.5]nonan-1-yl)-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-2-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;N-methyl-2-[4-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 163628545

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1C[C@@H](N(C)c2nc3sc(-c4ncc(-c5cnn(C)c5)c5cc[nH]c45)nc3s2)CCN1.Cl.
What is the InChIKey of 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?
The InChIKey is PJCUOPHTLOIRAG-KYSPHBLOSA-N. The full InChI is InChI=1S/C22H24N8S2.ClH/c1-12-8-14(4-6-23-12)30(3)22-28-21-20(32-22)27-19(31-21)18-17-15(5-7-24-17)16(10-25-18)13-9-26-29(2)11-13;/h5,7,9-12,14,23-24H,4,6,8H2,1-3H3;1H/t12-,14-;/m0./s1.
What are the key properties of 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?
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 has a molecular weight of 501.09 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162492630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).