N-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide

C27H28FN7O4S — CID 155146824

IUPACN-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide
SMILESCOc1cc(F)cc(C(CO)NC(=O)C(C)N2CCc3sc(-c4ccnc(Nc5ccnn5C)n4)cc3C2=O)c1
InChIInChI=1S/C27H28FN7O4S/c1-15(25(37)31-21(14-36)16-10-17(28)12-18(11-16)39-3)35-9-6-22-19(26(35)38)13-23(40-22)20-4-7-29-27(32-20)33-24-5-8-30-34(24)2/h4-5,7-8,10-13,15,21,36H,6,9,14H2,1-3H3,(H,31,37)(H,29,32,33)
InChIKeyDJOIKOLPPIGCDK-UHFFFAOYSA-N
MW565.63 g/mol
LogP3.07
Rot. Bonds9

About N-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide

N-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide (PubChem CID 155146824) has the molecular formula C27H28FN7O4S and a molecular weight of 565.63 g/mol. Its IUPAC name is N-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide
PubChem CID155146824
Molecular FormulaC27H28FN7O4S
Molecular Weight565.63 g/mol
Exact Mass565.19
IUPAC NameN-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide
SMILESCOc1cc(F)cc(C(CO)NC(=O)C(C)N2CCc3sc(-c4ccnc(Nc5ccnn5C)n4)cc3C2=O)c1
InChIInChI=1S/C27H28FN7O4S/c1-15(25(37)31-21(14-36)16-10-17(28)12-18(11-16)39-3)35-9-6-22-19(26(35)38)13-23(40-22)20-4-7-29-27(32-20)33-24-5-8-30-34(24)2/h4-5,7-8,10-13,15,21,36H,6,9,14H2,1-3H3,(H,31,37)(H,29,32,33)
InChIKeyDJOIKOLPPIGCDK-UHFFFAOYSA-N
XLogP3.07
TPSA134.50 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.63
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide 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 N-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide?
The IUPAC name of N-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide (CID 155146824) is N-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide.
What is the SMILES notation for N-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide?
The canonical SMILES for N-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide is COc1cc(F)cc(C(CO)NC(=O)C(C)N2CCc3sc(-c4ccnc(Nc5ccnn5C)n4)cc3C2=O)c1.
What is the InChIKey of N-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide?
The InChIKey is DJOIKOLPPIGCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7O4S/c1-15(25(37)31-21(14-36)16-10-17(28)12-18(11-16)39-3)35-9-6-22-19(26(35)38)13-23(40-22)20-4-7-29-27(32-20)33-24-5-8-30-34(24)2/h4-5,7-8,10-13,15,21,36H,6,9,14H2,1-3H3,(H,31,37)(H,29,32,33).
What are the key properties of N-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide?
N-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide has a molecular weight of 565.63 g/mol, XLogP of 3.07, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-2-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanamide is sourced from PubChem (CID 155146824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).