3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C15H15FN6OS — CID 171337792

IUPAC3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cc2ncnc(N3CCC(F)(C(=O)Nc4nccs4)C3)c2[nH]1
InChIInChI=1S/C15H15FN6OS/c1-9-6-10-11(20-9)12(19-8-18-10)22-4-2-15(16,7-22)13(23)21-14-17-3-5-24-14/h3,5-6,8,20H,2,4,7H2,1H3,(H,17,21,23)
InChIKeyCIHVWULSZZTCQC-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.28
Rot. Bonds3

About 3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171337792) has the molecular formula C15H15FN6OS and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID171337792
Molecular FormulaC15H15FN6OS
Molecular Weight346.39 g/mol
Exact Mass346.10
IUPAC Name3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cc2ncnc(N3CCC(F)(C(=O)Nc4nccs4)C3)c2[nH]1
InChIInChI=1S/C15H15FN6OS/c1-9-6-10-11(20-9)12(19-8-18-10)22-4-2-15(16,7-22)13(23)21-14-17-3-5-24-14/h3,5-6,8,20H,2,4,7H2,1H3,(H,17,21,23)
InChIKeyCIHVWULSZZTCQC-UHFFFAOYSA-N
XLogP2.28
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 171337792) is 3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is Cc1cc2ncnc(N3CCC(F)(C(=O)Nc4nccs4)C3)c2[nH]1.
What is the InChIKey of 3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is CIHVWULSZZTCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6OS/c1-9-6-10-11(20-9)12(19-8-18-10)22-4-2-15(16,7-22)13(23)21-14-17-3-5-24-14/h3,5-6,8,20H,2,4,7H2,1H3,(H,17,21,23).
What are the key properties of 3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171337792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).