N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine

C22H25N5S — CID 69472935

IUPACN-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine
SMILESCc1c(Nc2ccnc3scc(CN4CCN(C)CC4)c23)ccc2[nH]ccc12
InChIInChI=1S/C22H25N5S/c1-15-17-5-7-23-19(17)4-3-18(15)25-20-6-8-24-22-21(20)16(14-28-22)13-27-11-9-26(2)10-12-27/h3-8,14,23H,9-13H2,1-2H3,(H,24,25)
InChIKeyYNDZOXZYWAMVGN-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.58
Rot. Bonds4

About N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine

N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine (PubChem CID 69472935) has the molecular formula C22H25N5S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine
PubChem CID69472935
Molecular FormulaC22H25N5S
Molecular Weight391.54 g/mol
Exact Mass391.18
IUPAC NameN-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine
SMILESCc1c(Nc2ccnc3scc(CN4CCN(C)CC4)c23)ccc2[nH]ccc12
InChIInChI=1S/C22H25N5S/c1-15-17-5-7-23-19(17)4-3-18(15)25-20-6-8-24-22-21(20)16(14-28-22)13-27-11-9-26(2)10-12-27/h3-8,14,23H,9-13H2,1-2H3,(H,24,25)
InChIKeyYNDZOXZYWAMVGN-UHFFFAOYSA-N
XLogP4.58
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine with MolForge

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Related Compounds

4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile
CID 45487559
[2-[4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]phenyl]methanol
CID 69471595
N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine
CID 69478254
4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine
CID 126518807
2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
CID 141308215
2-N-(4-methyl-1H-indol-5-yl)benzene-1,2-diamine
CID 174568422
4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]pyridine-3-carbonitrile
CID 46881554
3-[(4-methylpiperazin-1-yl)methyl]-1-benzothiophen-4-ol
CID 117170857
4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine
CID 70791212
5-[(E)-2-[5-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
CID 46881681
2-(2,3-dimethoxyphenyl)-N-(4-methyl-1H-indol-5-yl)furo[3,2-b]pyridin-7-amine
CID 66779317
6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]ethenyl]pyridine-3-carbonitrile
CID 154304577

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine?
The IUPAC name of N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine (CID 69472935) is N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine is Cc1c(Nc2ccnc3scc(CN4CCN(C)CC4)c23)ccc2[nH]ccc12.
What is the InChIKey of N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine?
The InChIKey is YNDZOXZYWAMVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5S/c1-15-17-5-7-23-19(17)4-3-18(15)25-20-6-8-24-22-21(20)16(14-28-22)13-27-11-9-26(2)10-12-27/h3-8,14,23H,9-13H2,1-2H3,(H,24,25).
What are the key properties of N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine?
N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine has a molecular weight of 391.54 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 69472935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).