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

C21H20F3N7O — CID 129161542

IUPACN-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1C(F)(F)F)Nc1ccc(N2CC[C@@H](Nc3cccnn3)C2)nn1
InChIInChI=1S/C21H20F3N7O/c22-21(23,24)16-5-2-1-4-14(16)12-20(32)27-18-7-8-19(30-29-18)31-11-9-15(13-31)26-17-6-3-10-25-28-17/h1-8,10,15H,9,11-13H2,(H,26,28)(H,27,29,32)/t15-/m1/s1
InChIKeyOTCWMVAEXPSBAB-OAHLLOKOSA-N
MW443.43 g/mol
LogP3.16
Rot. Bonds6

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

N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 129161542) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID129161542
Molecular FormulaC21H20F3N7O
Molecular Weight443.43 g/mol
Exact Mass443.17
IUPAC NameN-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1C(F)(F)F)Nc1ccc(N2CC[C@@H](Nc3cccnn3)C2)nn1
InChIInChI=1S/C21H20F3N7O/c22-21(23,24)16-5-2-1-4-14(16)12-20(32)27-18-7-8-19(30-29-18)31-11-9-15(13-31)26-17-6-3-10-25-28-17/h1-8,10,15H,9,11-13H2,(H,26,28)(H,27,29,32)/t15-/m1/s1
InChIKeyOTCWMVAEXPSBAB-OAHLLOKOSA-N
XLogP3.16
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide (CID 129161542) is N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(N2CC[C@@H](Nc3cccnn3)C2)nn1.
What is the InChIKey of N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OTCWMVAEXPSBAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20F3N7O/c22-21(23,24)16-5-2-1-4-14(16)12-20(32)27-18-7-8-19(30-29-18)31-11-9-15(13-31)26-17-6-3-10-25-28-17/h1-8,10,15H,9,11-13H2,(H,26,28)(H,27,29,32)/t15-/m1/s1.
What are the key properties of N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 443.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 129161542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).