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

C23H27N5O3 — CID 177282193

IUPACN-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCOC1(c2cccc(-n3nc(C4CCCC4)c4cnc(NC(C)=O)cc43)n2)CCOC1
InChIInChI=1S/C23H27N5O3/c1-15(29)25-20-12-18-17(13-24-20)22(16-6-3-4-7-16)27-28(18)21-9-5-8-19(26-21)23(30-2)10-11-31-14-23/h5,8-9,12-13,16H,3-4,6-7,10-11,14H2,1-2H3,(H,24,25,29)
InChIKeyOHZXSQJZFUNZPF-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.69
Rot. Bonds5

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

N-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 177282193) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID177282193
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCOC1(c2cccc(-n3nc(C4CCCC4)c4cnc(NC(C)=O)cc43)n2)CCOC1
InChIInChI=1S/C23H27N5O3/c1-15(29)25-20-12-18-17(13-24-20)22(16-6-3-4-7-16)27-28(18)21-9-5-8-19(26-21)23(30-2)10-11-31-14-23/h5,8-9,12-13,16H,3-4,6-7,10-11,14H2,1-2H3,(H,24,25,29)
InChIKeyOHZXSQJZFUNZPF-UHFFFAOYSA-N
XLogP3.69
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 177282193) is N-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is COC1(c2cccc(-n3nc(C4CCCC4)c4cnc(NC(C)=O)cc43)n2)CCOC1.
What is the InChIKey of N-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is OHZXSQJZFUNZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15(29)25-20-12-18-17(13-24-20)22(16-6-3-4-7-16)27-28(18)21-9-5-8-19(26-21)23(30-2)10-11-31-14-23/h5,8-9,12-13,16H,3-4,6-7,10-11,14H2,1-2H3,(H,24,25,29).
What are the key properties of N-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 177282193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).