N-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide

C20H23F2N5O3 — CID 170577909

IUPACN-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCCc1nn(-c2cc(OCCOC)cc(C(C)(F)F)n2)c2cc(NC(C)=O)ncc12
InChIInChI=1S/C20H23F2N5O3/c1-5-15-14-11-23-18(24-12(2)28)10-16(14)27(26-15)19-9-13(30-7-6-29-4)8-17(25-19)20(3,21)22/h8-11H,5-7H2,1-4H3,(H,23,24,28)
InChIKeyDZNJKIXYYQVLQU-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.47
Rot. Bonds8

About N-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577909) has the molecular formula C20H23F2N5O3 and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577909
Molecular FormulaC20H23F2N5O3
Molecular Weight419.43 g/mol
Exact Mass419.18
IUPAC NameN-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCCc1nn(-c2cc(OCCOC)cc(C(C)(F)F)n2)c2cc(NC(C)=O)ncc12
InChIInChI=1S/C20H23F2N5O3/c1-5-15-14-11-23-18(24-12(2)28)10-16(14)27(26-15)19-9-13(30-7-6-29-4)8-17(25-19)20(3,21)22/h8-11H,5-7H2,1-4H3,(H,23,24,28)
InChIKeyDZNJKIXYYQVLQU-UHFFFAOYSA-N
XLogP3.47
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577909) is N-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide is CCc1nn(-c2cc(OCCOC)cc(C(C)(F)F)n2)c2cc(NC(C)=O)ncc12.
What is the InChIKey of N-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is DZNJKIXYYQVLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O3/c1-5-15-14-11-23-18(24-12(2)28)10-16(14)27(26-15)19-9-13(30-7-6-29-4)8-17(25-19)20(3,21)22/h8-11H,5-7H2,1-4H3,(H,23,24,28).
What are the key properties of N-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 419.43 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).