N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide

C21H21F2N7O3 — CID 157033008

IUPACN-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide
SMILESO=C(CC1CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)CC1(F)F)NC12CC(C1)C2
InChIInChI=1S/C21H21F2N7O3/c22-21(23)10-29(9-12(21)3-16(31)27-20-5-11(6-20)7-20)15-4-14(28-30-2-1-24-17(15)30)13-8-25-19(33)26-18(13)32/h1-2,4,8,11-12H,3,5-7,9-10H2,(H,27,31)(H2,25,26,32,33)
InChIKeyBLHDLCADZDMKTR-UHFFFAOYSA-N
MW457.44 g/mol
LogP0.90
Rot. Bonds5

About N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide

N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide (PubChem CID 157033008) has the molecular formula C21H21F2N7O3 and a molecular weight of 457.44 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide
PubChem CID157033008
Molecular FormulaC21H21F2N7O3
Molecular Weight457.44 g/mol
Exact Mass457.17
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide
SMILESO=C(CC1CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)CC1(F)F)NC12CC(C1)C2
InChIInChI=1S/C21H21F2N7O3/c22-21(23)10-29(9-12(21)3-16(31)27-20-5-11(6-20)7-20)15-4-14(28-30-2-1-24-17(15)30)13-8-25-19(33)26-18(13)32/h1-2,4,8,11-12H,3,5-7,9-10H2,(H,27,31)(H2,25,26,32,33)
InChIKeyBLHDLCADZDMKTR-UHFFFAOYSA-N
XLogP0.90
TPSA128.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.44
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide with MolForge

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Related Compounds

cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate
CID 157032257
5-[8-[4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033928
5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033011
5-[8-[3,3-difluoro-4-(4-methylphenoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033889
5-[8-[8,8-difluoro-2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.4]octan-6-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032977
5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032251
5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 163394455
6-[(3S)-1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carbonitrile
CID 157034001
6-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carbonitrile
CID 157034403
5-[8-(3,3-difluoro-5,5-dimethylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032315
5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157035179
1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile
CID 157033371

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide (CID 157033008) is N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide is O=C(CC1CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)CC1(F)F)NC12CC(C1)C2.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide?
The InChIKey is BLHDLCADZDMKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O3/c22-21(23)10-29(9-12(21)3-16(31)27-20-5-11(6-20)7-20)15-4-14(28-30-2-1-24-17(15)30)13-8-25-19(33)26-18(13)32/h1-2,4,8,11-12H,3,5-7,9-10H2,(H,27,31)(H2,25,26,32,33).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide?
N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide has a molecular weight of 457.44 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide is sourced from PubChem (CID 157033008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).