N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

C19H19F2N7O2 — CID 170577466

IUPACN-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(N1CC3CC1CO3)nn2-c1cncc(C(C)(F)F)n1
InChIInChI=1S/C19H19F2N7O2/c1-10(29)24-16-4-14-13(5-23-16)18(27-8-12-3-11(27)9-30-12)26-28(14)17-7-22-6-15(25-17)19(2,20)21/h4-7,11-12H,3,8-9H2,1-2H3,(H,23,24,29)
InChIKeyZNRYGYQQMHRHBB-UHFFFAOYSA-N
MW415.40 g/mol
LogP2.26
Rot. Bonds4

About N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577466) has the molecular formula C19H19F2N7O2 and a molecular weight of 415.40 g/mol. Its IUPAC name is N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577466
Molecular FormulaC19H19F2N7O2
Molecular Weight415.40 g/mol
Exact Mass415.16
IUPAC NameN-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(N1CC3CC1CO3)nn2-c1cncc(C(C)(F)F)n1
InChIInChI=1S/C19H19F2N7O2/c1-10(29)24-16-4-14-13(5-23-16)18(27-8-12-3-11(27)9-30-12)26-28(14)17-7-22-6-15(25-17)19(2,20)21/h4-7,11-12H,3,8-9H2,1-2H3,(H,23,24,29)
InChIKeyZNRYGYQQMHRHBB-UHFFFAOYSA-N
XLogP2.26
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide with MolForge

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Related Compounds

N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 177282297
N-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170352017
N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 177282302
acetaldehyde;1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-N-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-amine
CID 170576975
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577622
N-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide;hydrochloride
CID 170351652
N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577384
N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577557
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577004
N-[3-cyclopropyl-1-[6-(1,1-difluoroethyl)-4-(oxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577228
N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577822
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 177282300

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577466) is N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(N1CC3CC1CO3)nn2-c1cncc(C(C)(F)F)n1.
What is the InChIKey of N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is ZNRYGYQQMHRHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O2/c1-10(29)24-16-4-14-13(5-23-16)18(27-8-12-3-11(27)9-30-12)26-28(14)17-7-22-6-15(25-17)19(2,20)21/h4-7,11-12H,3,8-9H2,1-2H3,(H,23,24,29).
What are the key properties of N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 415.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(1,1-difluoroethyl)pyrazin-2-yl]-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).