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

C17H17F2N5O2 — CID 170425095

IUPACN-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(methoxymethyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCOCc1nn(-c2cccc(C(C)(F)F)n2)c2cc(NC(C)=O)ncc12
InChIInChI=1S/C17H17F2N5O2/c1-10(25)21-15-7-13-11(8-20-15)12(9-26-3)23-24(13)16-6-4-5-14(22-16)17(2,18)19/h4-8H,9H2,1-3H3,(H,20,21,25)
InChIKeyONWKAZATHYIAIG-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.03
Rot. Bonds5

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

N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(methoxymethyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170425095) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(methoxymethyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(methoxymethyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170425095
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC NameN-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(methoxymethyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCOCc1nn(-c2cccc(C(C)(F)F)n2)c2cc(NC(C)=O)ncc12
InChIInChI=1S/C17H17F2N5O2/c1-10(25)21-15-7-13-11(8-20-15)12(9-26-3)23-24(13)16-6-4-5-14(22-16)17(2,18)19/h4-8H,9H2,1-3H3,(H,20,21,25)
InChIKeyONWKAZATHYIAIG-UHFFFAOYSA-N
XLogP3.03
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(methoxymethyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(methoxymethyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170425095) is N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(methoxymethyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(methoxymethyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(methoxymethyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is COCc1nn(-c2cccc(C(C)(F)F)n2)c2cc(NC(C)=O)ncc12.
What is the InChIKey of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(methoxymethyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is ONWKAZATHYIAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c1-10(25)21-15-7-13-11(8-20-15)12(9-26-3)23-24(13)16-6-4-5-14(22-16)17(2,18)19/h4-8H,9H2,1-3H3,(H,20,21,25).
What are the key properties of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(methoxymethyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(methoxymethyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 361.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(methoxymethyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170425095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).