3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide

C21H27N5O2P2S — CID 167148191

IUPAC3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc2c(N)c(C(=O)NCCc3cc(P)c(N4CCNCC4)cc3P)sc2n1
InChIInChI=1S/C21H27N5O2P2S/c1-28-17-3-2-13-18(22)19(31-21(13)25-17)20(27)24-5-4-12-10-16(30)14(11-15(12)29)26-8-6-23-7-9-26/h2-3,10-11,23H,4-9,22,29-30H2,1H3,(H,24,27)
InChIKeyZAIPSXWINIRVPT-UHFFFAOYSA-N
MW475.50 g/mol
LogP1.27
Rot. Bonds6

About 3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167148191) has the molecular formula C21H27N5O2P2S and a molecular weight of 475.50 g/mol. Its IUPAC name is 3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide
PubChem CID167148191
Molecular FormulaC21H27N5O2P2S
Molecular Weight475.50 g/mol
Exact Mass475.14
IUPAC Name3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc2c(N)c(C(=O)NCCc3cc(P)c(N4CCNCC4)cc3P)sc2n1
InChIInChI=1S/C21H27N5O2P2S/c1-28-17-3-2-13-18(22)19(31-21(13)25-17)20(27)24-5-4-12-10-16(30)14(11-15(12)29)26-8-6-23-7-9-26/h2-3,10-11,23H,4-9,22,29-30H2,1H3,(H,24,27)
InChIKeyZAIPSXWINIRVPT-UHFFFAOYSA-N
XLogP1.27
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide
CID 157335931
3-amino-N-[2-(3-ethoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 153310983
3-amino-N-[2-(3,5-difluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155553020
3-amino-6-ethoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 157222941
3-amino-N-[2-[4-(2,8-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 146855503
3-amino-N-[2-(3-chloro-4-piperazin-1-ylphenyl)ethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 155566919
3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 153311036
3-amino-N-[2-[4-(4-tert-butylpiperazin-1-yl)-2,5-difluorophenyl]ethyl]-6-cyanothieno[2,3-b]pyridine-2-carboxamide
CID 175749887
3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 157222940
3-amino-N-[2-[4-[3-(piperidin-4-ylcarbamoyl)piperazin-1-yl]phenyl]ethyl]-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 177184434
N-[2-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,5-difluorophenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 155510581
3-amino-N-[2-[4-(2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155548649

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide (CID 167148191) is 3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide is COc1ccc2c(N)c(C(=O)NCCc3cc(P)c(N4CCNCC4)cc3P)sc2n1.
What is the InChIKey of 3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZAIPSXWINIRVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2P2S/c1-28-17-3-2-13-18(22)19(31-21(13)25-17)20(27)24-5-4-12-10-16(30)14(11-15(12)29)26-8-6-23-7-9-26/h2-3,10-11,23H,4-9,22,29-30H2,1H3,(H,24,27).
What are the key properties of 3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[2,5-bis(phosphanyl)-4-piperazin-1-ylphenyl]ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167148191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).