4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide

C23H20ClN7O4S — CID 177169795

IUPAC4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide
SMILESCOc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(NC(=O)C3CCOC3)nc2s1
InChIInChI=1S/C23H20ClN7O4S/c1-11-5-13(14-6-17(24)26-8-16(14)34-2)15(7-25-11)21(33)31-23-30-19-22(36-23)29-18(9-27-19)28-20(32)12-3-4-35-10-12/h5-9,12H,3-4,10H2,1-2H3,(H,28,29,32)(H,27,30,31,33)
InChIKeyWEEKDNJVERNIAW-UHFFFAOYSA-N
MW525.98 g/mol
LogP3.74
Rot. Bonds6

About 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide

4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide (PubChem CID 177169795) has the molecular formula C23H20ClN7O4S and a molecular weight of 525.98 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide
PubChem CID177169795
Molecular FormulaC23H20ClN7O4S
Molecular Weight525.98 g/mol
Exact Mass525.10
IUPAC Name4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide
SMILESCOc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(NC(=O)C3CCOC3)nc2s1
InChIInChI=1S/C23H20ClN7O4S/c1-11-5-13(14-6-17(24)26-8-16(14)34-2)15(7-25-11)21(33)31-23-30-19-22(36-23)29-18(9-27-19)28-20(32)12-3-4-35-10-12/h5-9,12H,3-4,10H2,1-2H3,(H,28,29,32)(H,27,30,31,33)
InChIKeyWEEKDNJVERNIAW-UHFFFAOYSA-N
XLogP3.74
TPSA141.11 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.98
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide (CID 177169795) is 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide is COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(NC(=O)C3CCOC3)nc2s1.
What is the InChIKey of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?
The InChIKey is WEEKDNJVERNIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O4S/c1-11-5-13(14-6-17(24)26-8-16(14)34-2)15(7-25-11)21(33)31-23-30-19-22(36-23)29-18(9-27-19)28-20(32)12-3-4-35-10-12/h5-9,12H,3-4,10H2,1-2H3,(H,28,29,32)(H,27,30,31,33).
What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide has a molecular weight of 525.98 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(oxolane-3-carbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 177169795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).