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

C22H24N8S2 — CID 163921856

IUPACN-(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
SMILESCC1CC(N(C)c2nc3sc(-c4ncc(-c5cn[nH]c5)c5c4N=CC5)nc3s2)CCN1C
InChIInChI=1S/C22H24N8S2/c1-12-8-14(5-7-29(12)2)30(3)22-28-21-20(32-22)27-19(31-21)18-17-15(4-6-23-17)16(11-24-18)13-9-25-26-10-13/h6,9-12,14H,4-5,7-8H2,1-3H3,(H,25,26)
InChIKeyNMXFZLCPVVGTRB-UHFFFAOYSA-N
MW464.62 g/mol
LogP4.38
Rot. Bonds4

About 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

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 (PubChem CID 163921856) has the molecular formula C22H24N8S2 and a molecular weight of 464.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID163921856
Molecular FormulaC22H24N8S2
Molecular Weight464.62 g/mol
Exact Mass464.16
IUPAC NameN-(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
SMILESCC1CC(N(C)c2nc3sc(-c4ncc(-c5cn[nH]c5)c5c4N=CC5)nc3s2)CCN1C
InChIInChI=1S/C22H24N8S2/c1-12-8-14(5-7-29(12)2)30(3)22-28-21-20(32-22)27-19(31-21)18-17-15(4-6-23-17)16(11-24-18)13-9-25-26-10-13/h6,9-12,14H,4-5,7-8H2,1-3H3,(H,25,26)
InChIKeyNMXFZLCPVVGTRB-UHFFFAOYSA-N
XLogP4.38
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

N-methyl-N-piperidin-4-yl-2-[7-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 156310675
US11111247, Example 42
CID 146448933
N-methyl-N-piperidin-4-yl-2-[7-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 149661715
2-[3-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-4-methyl-5-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 156320466
4-methyl-2-[3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-5-piperazin-1-yl-1,3-thiazole
CID 156320579
4-methyl-2-[3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-5-(4-propylpiperazin-1-yl)-1,3-thiazole
CID 156320638
2-[3-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-5-(1-ethylpiperidin-4-yl)-4-methyl-1,3-thiazole
CID 156320910
5-(4-ethylpiperazin-1-yl)-4-methyl-2-[3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-1,3-thiazole
CID 156320979
4-methyl-5-(4-methylpiperazin-1-yl)-2-[3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-1,3-thiazole
CID 156321347
2-[3-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-4-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole
CID 156321389
2-[3-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-4-methyl-5-(1-propylpiperidin-4-yl)-1,3-thiazole
CID 156321690
2-[3,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492582

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC(N(C)c2nc3sc(-c4ncc(-c5cn[nH]c5)c5c4N=CC5)nc3s2)CCN1C.
What is the InChIKey of 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?
The InChIKey is NMXFZLCPVVGTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8S2/c1-12-8-14(5-7-29(12)2)30(3)22-28-21-20(32-22)27-19(31-21)18-17-15(4-6-23-17)16(11-24-18)13-9-25-26-10-13/h6,9-12,14H,4-5,7-8H2,1-3H3,(H,25,26).
What are the key properties of 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?
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 has a molecular weight of 464.62 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163921856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).