N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C18H19FN6O2S — CID 154676073

IUPACN-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ncnc4ncccc34)C[C@@H]2C)s1
InChIInChI=1S/C18H19FN6O2S/c1-10-6-12(27-17-13-4-3-5-20-16(13)21-9-22-17)7-25(10)8-14-15(19)24-18(28-14)23-11(2)26/h3-5,9-10,12H,6-8H2,1-2H3,(H,23,24,26)/t10-,12+/m0/s1
InChIKeyRZOQOPRZDRPEPR-CMPLNLGQSA-N
MW402.46 g/mol
LogP2.62
Rot. Bonds5

About N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 154676073) has the molecular formula C18H19FN6O2S and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID154676073
Molecular FormulaC18H19FN6O2S
Molecular Weight402.46 g/mol
Exact Mass402.13
IUPAC NameN-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ncnc4ncccc34)C[C@@H]2C)s1
InChIInChI=1S/C18H19FN6O2S/c1-10-6-12(27-17-13-4-3-5-20-16(13)21-9-22-17)7-25(10)8-14-15(19)24-18(28-14)23-11(2)26/h3-5,9-10,12H,6-8H2,1-2H3,(H,23,24,26)/t10-,12+/m0/s1
InChIKeyRZOQOPRZDRPEPR-CMPLNLGQSA-N
XLogP2.62
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 154676073) is N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3ncnc4ncccc34)C[C@@H]2C)s1.
What is the InChIKey of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RZOQOPRZDRPEPR-CMPLNLGQSA-N. The full InChI is InChI=1S/C18H19FN6O2S/c1-10-6-12(27-17-13-4-3-5-20-16(13)21-9-22-17)7-25(10)8-14-15(19)24-18(28-14)23-11(2)26/h3-5,9-10,12H,6-8H2,1-2H3,(H,23,24,26)/t10-,12+/m0/s1.
What are the key properties of N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 402.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-pyrido[2,3-d]pyrimidin-4-yloxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 154676073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).