3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide

C24H30ClN5O3S — CID 90645305

IUPAC3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1
InChIInChI=1S/C24H30ClN5O3S/c1-15-18-20(26)21(34-24(18)28-23(33-3)19(15)25)22(31)27-9-6-10-29-11-13-30(14-12-29)16-7-4-5-8-17(16)32-2/h4-5,7-8H,6,9-14,26H2,1-3H3,(H,27,31)
InChIKeyWRFRTCQJMMIOLF-UHFFFAOYSA-N
MW504.06 g/mol
LogP3.80
Rot. Bonds8

About 3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 90645305) has the molecular formula C24H30ClN5O3S and a molecular weight of 504.06 g/mol. Its IUPAC name is 3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID90645305
Molecular FormulaC24H30ClN5O3S
Molecular Weight504.06 g/mol
Exact Mass503.18
IUPAC Name3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1
InChIInChI=1S/C24H30ClN5O3S/c1-15-18-20(26)21(34-24(18)28-23(33-3)19(15)25)22(31)27-9-6-10-29-11-13-30(14-12-29)16-7-4-5-8-17(16)32-2/h4-5,7-8H,6,9-14,26H2,1-3H3,(H,27,31)
InChIKeyWRFRTCQJMMIOLF-UHFFFAOYSA-N
XLogP3.80
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.06
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 90645305) is 3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide is COc1ccccc1N1CCN(CCCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1.
What is the InChIKey of 3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WRFRTCQJMMIOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3S/c1-15-18-20(26)21(34-24(18)28-23(33-3)19(15)25)22(31)27-9-6-10-29-11-13-30(14-12-29)16-7-4-5-8-17(16)32-2/h4-5,7-8H,6,9-14,26H2,1-3H3,(H,27,31).
What are the key properties of 3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 504.06 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 90645305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).