N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

C21H22F3N5O3 — CID 170577665

IUPACN-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCOC1(c2cccc(-n3nc(C(C)C(F)(F)F)c4cnc(NC(C)=O)cc43)n2)CCOC1
InChIInChI=1S/C21H22F3N5O3/c1-12(21(22,23)24)19-14-10-25-17(26-13(2)30)9-15(14)29(28-19)18-6-4-5-16(27-18)20(31-3)7-8-32-11-20/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,25,26,30)
InChIKeyXBEHCHZKTLVRPM-UHFFFAOYSA-N
MW449.43 g/mol
LogP3.70
Rot. Bonds5

About N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577665) has the molecular formula C21H22F3N5O3 and a molecular weight of 449.43 g/mol. Its IUPAC name is N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577665
Molecular FormulaC21H22F3N5O3
Molecular Weight449.43 g/mol
Exact Mass449.17
IUPAC NameN-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCOC1(c2cccc(-n3nc(C(C)C(F)(F)F)c4cnc(NC(C)=O)cc43)n2)CCOC1
InChIInChI=1S/C21H22F3N5O3/c1-12(21(22,23)24)19-14-10-25-17(26-13(2)30)9-15(14)29(28-19)18-6-4-5-16(27-18)20(31-3)7-8-32-11-20/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,25,26,30)
InChIKeyXBEHCHZKTLVRPM-UHFFFAOYSA-N
XLogP3.70
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577665) is N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is COC1(c2cccc(-n3nc(C(C)C(F)(F)F)c4cnc(NC(C)=O)cc43)n2)CCOC1.
What is the InChIKey of N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is XBEHCHZKTLVRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O3/c1-12(21(22,23)24)19-14-10-25-17(26-13(2)30)9-15(14)29(28-19)18-6-4-5-16(27-18)20(31-3)7-8-32-11-20/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,25,26,30).
What are the key properties of N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 449.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).