N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine

C20H21F2N7O2 — CID 170642705

IUPACN-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1nc(NC2CCC(OC(F)F)CC2)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C20H21F2N7O2/c1-30-17-16-15(12-10-24-20-23-7-9-28(20)11-12)6-8-29(16)27-19(26-17)25-13-2-4-14(5-3-13)31-18(21)22/h6-11,13-14,18H,2-5H2,1H3,(H,25,27)
InChIKeyVKRCCNDSGXKOFQ-UHFFFAOYSA-N
MW429.43 g/mol
LogP3.41
Rot. Bonds6

About N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine

N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 170642705) has the molecular formula C20H21F2N7O2 and a molecular weight of 429.43 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID170642705
Molecular FormulaC20H21F2N7O2
Molecular Weight429.43 g/mol
Exact Mass429.17
IUPAC NameN-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1nc(NC2CCC(OC(F)F)CC2)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C20H21F2N7O2/c1-30-17-16-15(12-10-24-20-23-7-9-28(20)11-12)6-8-29(16)27-19(26-17)25-13-2-4-14(5-3-13)31-18(21)22/h6-11,13-14,18H,2-5H2,1H3,(H,25,27)
InChIKeyVKRCCNDSGXKOFQ-UHFFFAOYSA-N
XLogP3.41
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine with MolForge

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Related Compounds

N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170657515
1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone
CID 170641808
1-[(3S,4R)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]pyrrolidin-1-yl]ethanone
CID 170641792
2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol
CID 170642062
cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone
CID 177156880
4-[[4-(difluoromethoxy)-5-imidazo[1,2-a]pyridin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 170643129
N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170657264
N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642342
ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane
CID 170641793
1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 170642298
4-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol
CID 170642457
5-[6-[[(Z)-but-1-enyl]amino]-3-pyridinyl]-4-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170643351

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 170642705) is N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1nc(NC2CCC(OC(F)F)CC2)nn2ccc(-c3cnc4nccn4c3)c12.
What is the InChIKey of N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is VKRCCNDSGXKOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N7O2/c1-30-17-16-15(12-10-24-20-23-7-9-28(20)11-12)6-8-29(16)27-19(26-17)25-13-2-4-14(5-3-13)31-18(21)22/h6-11,13-14,18H,2-5H2,1H3,(H,25,27).
What are the key properties of N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 429.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 170642705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).