2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C24H26N6O4 — CID 155444035

IUPAC2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cnc2c(NC(=O)c3cn4cc([C@]56COC(CCO5)C6)nc4cc3OC(C)C)cnn2c1
InChIInChI=1S/C24H26N6O4/c1-14(2)34-19-6-21-28-20(24-7-16(32-13-24)4-5-33-24)12-29(21)11-17(19)23(31)27-18-9-26-30-10-15(3)8-25-22(18)30/h6,8-12,14,16H,4-5,7,13H2,1-3H3,(H,27,31)/t16?,24-/m0/s1
InChIKeyZHXDHNLBKRSJRH-ODOSRFNGSA-N
MW462.51 g/mol
LogP3.13
Rot. Bonds5

About 2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 155444035) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID155444035
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Name2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cnc2c(NC(=O)c3cn4cc([C@]56COC(CCO5)C6)nc4cc3OC(C)C)cnn2c1
InChIInChI=1S/C24H26N6O4/c1-14(2)34-19-6-21-28-20(24-7-16(32-13-24)4-5-33-24)12-29(21)11-17(19)23(31)27-18-9-26-30-10-15(3)8-25-22(18)30/h6,8-12,14,16H,4-5,7,13H2,1-3H3,(H,27,31)/t16?,24-/m0/s1
InChIKeyZHXDHNLBKRSJRH-ODOSRFNGSA-N
XLogP3.13
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 155444035) is 2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is Cc1cnc2c(NC(=O)c3cn4cc([C@]56COC(CCO5)C6)nc4cc3OC(C)C)cnn2c1.
What is the InChIKey of 2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ZHXDHNLBKRSJRH-ODOSRFNGSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-14(2)34-19-6-21-28-20(24-7-16(32-13-24)4-5-33-24)12-29(21)11-17(19)23(31)27-18-9-26-30-10-15(3)8-25-22(18)30/h6,8-12,14,16H,4-5,7,13H2,1-3H3,(H,27,31)/t16?,24-/m0/s1.
What are the key properties of 2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 155444035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).