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

C27H27N5S — CID 69478254

IUPACN-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine
SMILESCN1CCN(Cc2cccc(-c3cc4c(Nc5ccc6[nH]ccc6c5)ccnc4s3)c2)CC1
InChIInChI=1S/C27H27N5S/c1-31-11-13-32(14-12-31)18-19-3-2-4-21(15-19)26-17-23-25(8-10-29-27(23)33-26)30-22-5-6-24-20(16-22)7-9-28-24/h2-10,15-17,28H,11-14,18H2,1H3,(H,29,30)
InChIKeyFJHHRVJUBPJVTN-UHFFFAOYSA-N
MW453.62 g/mol
LogP5.94
Rot. Bonds5

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

N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine (PubChem CID 69478254) has the molecular formula C27H27N5S and a molecular weight of 453.62 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine
PubChem CID69478254
Molecular FormulaC27H27N5S
Molecular Weight453.62 g/mol
Exact Mass453.20
IUPAC NameN-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine
SMILESCN1CCN(Cc2cccc(-c3cc4c(Nc5ccc6[nH]ccc6c5)ccnc4s3)c2)CC1
InChIInChI=1S/C27H27N5S/c1-31-11-13-32(14-12-31)18-19-3-2-4-21(15-19)26-17-23-25(8-10-29-27(23)33-26)30-22-5-6-24-20(16-22)7-9-28-24/h2-10,15-17,28H,11-14,18H2,1H3,(H,29,30)
InChIKeyFJHHRVJUBPJVTN-UHFFFAOYSA-N
XLogP5.94
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.62
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol
CID 91298049
4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde
CID 87848495
2-[2-[4-[[4-[7-(1H-indol-5-ylamino)thieno[2,3-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol
CID 54281657
N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
CID 141009758
3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine
CID 39219874
N-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidin-4-amine
CID 89449345
5-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]pentan-1-ol
CID 18383017
N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 22030671
N-(4-methyl-1H-indol-5-yl)-3-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-b]pyridin-4-amine
CID 69472935
4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 985301
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
7-chloro-N-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]quinolin-4-amine
CID 44572763

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine?
The IUPAC name of N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine (CID 69478254) is N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine is CN1CCN(Cc2cccc(-c3cc4c(Nc5ccc6[nH]ccc6c5)ccnc4s3)c2)CC1.
What is the InChIKey of N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine?
The InChIKey is FJHHRVJUBPJVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5S/c1-31-11-13-32(14-12-31)18-19-3-2-4-21(15-19)26-17-23-25(8-10-29-27(23)33-26)30-22-5-6-24-20(16-22)7-9-28-24/h2-10,15-17,28H,11-14,18H2,1H3,(H,29,30).
What are the key properties of N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine?
N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine has a molecular weight of 453.62 g/mol, XLogP of 5.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 69478254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).