2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid

C19H22N6O4S — CID 146624006

IUPAC2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)N3CCCC(CC(=O)O)C3)nc12
InChIInChI=1S/C19H22N6O4S/c1-24-10-12(7-21-24)13-8-20-17(29-2)15-16(13)30-18(22-15)23-19(28)25-5-3-4-11(9-25)6-14(26)27/h7-8,10-11H,3-6,9H2,1-2H3,(H,26,27)(H,22,23,28)
InChIKeyVFSSFIFYNPHOQB-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.82
Rot. Bonds5

About 2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid

2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid (PubChem CID 146624006) has the molecular formula C19H22N6O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid
PubChem CID146624006
Molecular FormulaC19H22N6O4S
Molecular Weight430.49 g/mol
Exact Mass430.14
IUPAC Name2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)N3CCCC(CC(=O)O)C3)nc12
InChIInChI=1S/C19H22N6O4S/c1-24-10-12(7-21-24)13-8-20-17(29-2)15-16(13)30-18(22-15)23-19(28)25-5-3-4-11(9-25)6-14(26)27/h7-8,10-11H,3-6,9H2,1-2H3,(H,26,27)(H,22,23,28)
InChIKeyVFSSFIFYNPHOQB-UHFFFAOYSA-N
XLogP2.82
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid (CID 146624006) is 2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid is COc1ncc(-c2cnn(C)c2)c2sc(NC(=O)N3CCCC(CC(=O)O)C3)nc12.
What is the InChIKey of 2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is VFSSFIFYNPHOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4S/c1-24-10-12(7-21-24)13-8-20-17(29-2)15-16(13)30-18(22-15)23-19(28)25-5-3-4-11(9-25)6-14(26)27/h7-8,10-11H,3-6,9H2,1-2H3,(H,26,27)(H,22,23,28).
What are the key properties of 2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid?
2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 430.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 146624006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).