4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

C24H23N7O2S — CID 67987743

IUPAC4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cn4)CCOCC3)nc2)cs1
InChIInChI=1S/C24H23N7O2S/c1-15-30-19(14-34-15)17-3-5-21(27-11-17)31-22(32)24(6-8-33-9-7-24)20-4-2-16(10-26-20)18-12-28-23(25)29-13-18/h2-5,10-14H,6-9H2,1H3,(H2,25,28,29)(H,27,31,32)
InChIKeyUCDLQKGBHBUCSW-UHFFFAOYSA-N
MW473.56 g/mol
LogP3.63
Rot. Bonds5

About 4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 67987743) has the molecular formula C24H23N7O2S and a molecular weight of 473.56 g/mol. Its IUPAC name is 4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID67987743
Molecular FormulaC24H23N7O2S
Molecular Weight473.56 g/mol
Exact Mass473.16
IUPAC Name4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cn4)CCOCC3)nc2)cs1
InChIInChI=1S/C24H23N7O2S/c1-15-30-19(14-34-15)17-3-5-21(27-11-17)31-22(32)24(6-8-33-9-7-24)20-4-2-16(10-26-20)18-12-28-23(25)29-13-18/h2-5,10-14H,6-9H2,1H3,(H2,25,28,29)(H,27,31,32)
InChIKeyUCDLQKGBHBUCSW-UHFFFAOYSA-N
XLogP3.63
TPSA128.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of 4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (CID 67987743) is 4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for 4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cn4)CCOCC3)nc2)cs1.
What is the InChIKey of 4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is UCDLQKGBHBUCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2S/c1-15-30-19(14-34-15)17-3-5-21(27-11-17)31-22(32)24(6-8-33-9-7-24)20-4-2-16(10-26-20)18-12-28-23(25)29-13-18/h2-5,10-14H,6-9H2,1H3,(H2,25,28,29)(H,27,31,32).
What are the key properties of 4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 67987743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).