2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H28N8O3S — CID 169224499

IUPAC2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCC2CCCN2C)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C25H28N8O3S/c1-15-20(9-16(10-26-15)22(34)27-11-17-5-3-6-31(17)2)30-23(35)19-13-29-33-14-21(37-25(19)33)18-12-28-32-7-4-8-36-24(18)32/h9-10,12-14,17H,3-8,11H2,1-2H3,(H,27,34)(H,30,35)
InChIKeyPQDDGTPNAWMESF-UHFFFAOYSA-N
MW520.62 g/mol
LogP2.82
Rot. Bonds6

About 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-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-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 169224499) has the molecular formula C25H28N8O3S and a molecular weight of 520.62 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-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-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID169224499
Molecular FormulaC25H28N8O3S
Molecular Weight520.62 g/mol
Exact Mass520.20
IUPAC Name2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCC2CCCN2C)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C25H28N8O3S/c1-15-20(9-16(10-26-15)22(34)27-11-17-5-3-6-31(17)2)30-23(35)19-13-29-33-14-21(37-25(19)33)18-12-28-32-7-4-8-36-24(18)32/h9-10,12-14,17H,3-8,11H2,1-2H3,(H,27,34)(H,30,35)
InChIKeyPQDDGTPNAWMESF-UHFFFAOYSA-N
XLogP2.82
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.62
LogP ≤ 52.82
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-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-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-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-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-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 169224499) is 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-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-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-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-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCC2CCCN2C)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-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is PQDDGTPNAWMESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O3S/c1-15-20(9-16(10-26-15)22(34)27-11-17-5-3-6-31(17)2)30-23(35)19-13-29-33-14-21(37-25(19)33)18-12-28-32-7-4-8-36-24(18)32/h9-10,12-14,17H,3-8,11H2,1-2H3,(H,27,34)(H,30,35).
What are the key properties of 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-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-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 520.62 g/mol, XLogP of 2.82, 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-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 169224499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).