N-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

C22H28F2N8O — CID 170352017

IUPACN-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCCN(CC)[C@@H]1CCN(c2nn(-c3cncc(C(C)(F)F)n3)c3cc(NC(C)=O)ncc23)C1
InChIInChI=1S/C22H28F2N8O/c1-5-30(6-2)15-7-8-31(13-15)21-16-10-26-19(27-14(3)33)9-17(16)32(29-21)20-12-25-11-18(28-20)22(4,23)24/h9-12,15H,5-8,13H2,1-4H3,(H,26,27,33)/t15-/m1/s1
InChIKeyKRGJEXZLUMEVGN-OAHLLOKOSA-N
MW458.52 g/mol
LogP3.20
Rot. Bonds7

About N-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170352017) has the molecular formula C22H28F2N8O and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170352017
Molecular FormulaC22H28F2N8O
Molecular Weight458.52 g/mol
Exact Mass458.24
IUPAC NameN-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCCN(CC)[C@@H]1CCN(c2nn(-c3cncc(C(C)(F)F)n3)c3cc(NC(C)=O)ncc23)C1
InChIInChI=1S/C22H28F2N8O/c1-5-30(6-2)15-7-8-31(13-15)21-16-10-26-19(27-14(3)33)9-17(16)32(29-21)20-12-25-11-18(28-20)22(4,23)24/h9-12,15H,5-8,13H2,1-4H3,(H,26,27,33)/t15-/m1/s1
InChIKeyKRGJEXZLUMEVGN-OAHLLOKOSA-N
XLogP3.20
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-[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
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)-6-ethylpyrimidin-4-yl]-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577262
N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577917
methyl N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]carbamate
CID 170425088
N-[1-[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577010
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
N-[1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-3-[(3R)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170351703
benzyl N-[1-[6-acetamido-1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 175955973
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)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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of 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) is N-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CCN(CC)[C@@H]1CCN(c2nn(-c3cncc(C(C)(F)F)n3)c3cc(NC(C)=O)ncc23)C1.
What is the InChIKey of N-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is KRGJEXZLUMEVGN-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28F2N8O/c1-5-30(6-2)15-7-8-31(13-15)21-16-10-26-19(27-14(3)33)9-17(16)32(29-21)20-12-25-11-18(28-20)22(4,23)24/h9-12,15H,5-8,13H2,1-4H3,(H,26,27,33)/t15-/m1/s1.
What are the key properties of N-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 458.52 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170352017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).