3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C24H28FN5OS — CID 153038849

IUPAC3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C4)N5)cc3F)sc2n1
InChIInChI=1S/C24H28FN5OS/c1-13(10-27-23(31)22-21(26)19-7-3-14(2)28-24(19)32-22)18-8-6-17(9-20(18)25)30-11-15-4-5-16(12-30)29-15/h3,6-9,13,15-16,29H,4-5,10-12,26H2,1-2H3,(H,27,31)/t13-,15?,16?/m0/s1
InChIKeyVFGWBSOLIAYSQU-JEYLPNPQSA-N
MW453.59 g/mol
LogP3.80
Rot. Bonds5

About 3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 153038849) has the molecular formula C24H28FN5OS and a molecular weight of 453.59 g/mol. Its IUPAC name is 3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID153038849
Molecular FormulaC24H28FN5OS
Molecular Weight453.59 g/mol
Exact Mass453.20
IUPAC Name3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C4)N5)cc3F)sc2n1
InChIInChI=1S/C24H28FN5OS/c1-13(10-27-23(31)22-21(26)19-7-3-14(2)28-24(19)32-22)18-8-6-17(9-20(18)25)30-11-15-4-5-16(12-30)29-15/h3,6-9,13,15-16,29H,4-5,10-12,26H2,1-2H3,(H,27,31)/t13-,15?,16?/m0/s1
InChIKeyVFGWBSOLIAYSQU-JEYLPNPQSA-N
XLogP3.80
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 153038849) is 3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C4)N5)cc3F)sc2n1.
What is the InChIKey of 3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VFGWBSOLIAYSQU-JEYLPNPQSA-N. The full InChI is InChI=1S/C24H28FN5OS/c1-13(10-27-23(31)22-21(26)19-7-3-14(2)28-24(19)32-22)18-8-6-17(9-20(18)25)30-11-15-4-5-16(12-30)29-15/h3,6-9,13,15-16,29H,4-5,10-12,26H2,1-2H3,(H,27,31)/t13-,15?,16?/m0/s1.
What are the key properties of 3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2R)-2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-fluorophenyl]propyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 153038849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).