(2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

C22H22F3N7O3 — CID 129161544

IUPAC(2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESCO[C@@H](C(=O)Nc1ccc(N2CC[C@@H](Nc3cccnn3)C2)nn1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H22F3N7O3/c1-34-20(14-4-2-5-16(12-14)35-22(23,24)25)21(33)28-18-7-8-19(31-30-18)32-11-9-15(13-32)27-17-6-3-10-26-29-17/h2-8,10,12,15,20H,9,11,13H2,1H3,(H,27,29)(H,28,30,33)/t15-,20-/m1/s1
InChIKeyBGNWFGWBILIFNL-FOIQADDNSA-N
MW489.46 g/mol
LogP3.18
Rot. Bonds8

About (2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

(2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 129161544) has the molecular formula C22H22F3N7O3 and a molecular weight of 489.46 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID129161544
Molecular FormulaC22H22F3N7O3
Molecular Weight489.46 g/mol
Exact Mass489.17
IUPAC Name(2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESCO[C@@H](C(=O)Nc1ccc(N2CC[C@@H](Nc3cccnn3)C2)nn1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H22F3N7O3/c1-34-20(14-4-2-5-16(12-14)35-22(23,24)25)21(33)28-18-7-8-19(31-30-18)32-11-9-15(13-32)27-17-6-3-10-26-29-17/h2-8,10,12,15,20H,9,11,13H2,1H3,(H,27,29)(H,28,30,33)/t15-,20-/m1/s1
InChIKeyBGNWFGWBILIFNL-FOIQADDNSA-N
XLogP3.18
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
CID 129161539
N-[6-[[1-[6-(3,3-difluorocyclobutyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 175425652
(2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
CID 158686121
(2R)-2-methoxy-N-[5-[[(3R)-1-(1,2,4-triazin-6-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118554557
(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
CID 159689976
(2R)-2-(dimethylamino)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 129188069
(2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide
CID 167432221
2-(3,5-dimethoxyphenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 154584195
(1R)-1-ethoxy-3-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-1-[3-(trifluoromethoxy)phenyl]propan-2-one;(1S)-1-ethoxy-3-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-1-[3-(trifluoromethoxy)phenyl]propan-2-one;2-N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine
CID 160849463
(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[[(3R)-1-(1,2,4-triazin-6-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 130203440
N-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 146606324
(2S)-2-ethoxy-1-[[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol
CID 130219236

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of (2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 129161544) is (2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for (2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for (2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is CO[C@@H](C(=O)Nc1ccc(N2CC[C@@H](Nc3cccnn3)C2)nn1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is BGNWFGWBILIFNL-FOIQADDNSA-N. The full InChI is InChI=1S/C22H22F3N7O3/c1-34-20(14-4-2-5-16(12-14)35-22(23,24)25)21(33)28-18-7-8-19(31-30-18)32-11-9-15(13-32)27-17-6-3-10-26-29-17/h2-8,10,12,15,20H,9,11,13H2,1H3,(H,27,29)(H,28,30,33)/t15-,20-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
(2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 489.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 129161544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).