N-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C20H22FN5O3S — CID 155055114

IUPACN-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc2ccc(OC3CC(C)N(Cc4sc(NC(C)=O)nc4F)C3)nc2n1
InChIInChI=1S/C20H22FN5O3S/c1-11-8-14(9-26(11)10-15-18(21)25-20(30-15)22-12(2)27)29-17-7-5-13-4-6-16(28-3)23-19(13)24-17/h4-7,11,14H,8-10H2,1-3H3,(H,22,25,27)
InChIKeyVHRSADZFSAMMPC-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.23
Rot. Bonds6

About N-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155055114) has the molecular formula C20H22FN5O3S and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155055114
Molecular FormulaC20H22FN5O3S
Molecular Weight431.49 g/mol
Exact Mass431.14
IUPAC NameN-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc2ccc(OC3CC(C)N(Cc4sc(NC(C)=O)nc4F)C3)nc2n1
InChIInChI=1S/C20H22FN5O3S/c1-11-8-14(9-26(11)10-15-18(21)25-20(30-15)22-12(2)27)29-17-7-5-13-4-6-16(28-3)23-19(13)24-17/h4-7,11,14H,8-10H2,1-3H3,(H,22,25,27)
InChIKeyVHRSADZFSAMMPC-UHFFFAOYSA-N
XLogP3.23
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 155055114) is N-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is COc1ccc2ccc(OC3CC(C)N(Cc4sc(NC(C)=O)nc4F)C3)nc2n1.
What is the InChIKey of N-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VHRSADZFSAMMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3S/c1-11-8-14(9-26(11)10-15-18(21)25-20(30-15)22-12(2)27)29-17-7-5-13-4-6-16(28-3)23-19(13)24-17/h4-7,11,14H,8-10H2,1-3H3,(H,22,25,27).
What are the key properties of N-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 431.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-5-[[4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155055114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).