2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C26H30N8O3S — CID 164547810

IUPAC2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)[C@H]2CCCN2C(C)C)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C26H30N8O3S/c1-15(2)32-7-4-6-21(32)24(36)30-17-10-20(16(3)27-11-17)31-23(35)19-13-29-34-14-22(38-26(19)34)18-12-28-33-8-5-9-37-25(18)33/h10-15,21H,4-9H2,1-3H3,(H,30,36)(H,31,35)/t21-/m1/s1
InChIKeyBMUYTAUXBICIHK-OAQYLSRUSA-N
MW534.65 g/mol
LogP3.81
Rot. Bonds6

About 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547810) has the molecular formula C26H30N8O3S and a molecular weight of 534.65 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547810
Molecular FormulaC26H30N8O3S
Molecular Weight534.65 g/mol
Exact Mass534.22
IUPAC Name2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)[C@H]2CCCN2C(C)C)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C26H30N8O3S/c1-15(2)32-7-4-6-21(32)24(36)30-17-10-20(16(3)27-11-17)31-23(35)19-13-29-34-14-22(38-26(19)34)18-12-28-33-8-5-9-37-25(18)33/h10-15,21H,4-9H2,1-3H3,(H,30,36)(H,31,35)/t21-/m1/s1
InChIKeyBMUYTAUXBICIHK-OAQYLSRUSA-N
XLogP3.81
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.65
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547810) is 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)[C@H]2CCCN2C(C)C)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is BMUYTAUXBICIHK-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H30N8O3S/c1-15(2)32-7-4-6-21(32)24(36)30-17-10-20(16(3)27-11-17)31-23(35)19-13-29-34-14-22(38-26(19)34)18-12-28-33-8-5-9-37-25(18)33/h10-15,21H,4-9H2,1-3H3,(H,30,36)(H,31,35)/t21-/m1/s1.
What are the key properties of 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 534.65 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[(2R)-1-propan-2-ylpyrrolidine-2-carbonyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).