N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C20H15ClF3N7 — CID 134415360

IUPACN-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESFc1ccc(N2CCCn3nc(Nc4ccc(-n5cnc(Cl)c5)c(F)c4)nc32)cc1F
InChIInChI=1S/C20H15ClF3N7/c21-18-10-29(11-25-18)17-5-2-12(8-16(17)24)26-19-27-20-30(6-1-7-31(20)28-19)13-3-4-14(22)15(23)9-13/h2-5,8-11H,1,6-7H2,(H,26,28)
InChIKeyNQENJCMLAPAXKY-UHFFFAOYSA-N
MW445.84 g/mol
LogP4.82
Rot. Bonds4

About N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 134415360) has the molecular formula C20H15ClF3N7 and a molecular weight of 445.84 g/mol. Its IUPAC name is N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID134415360
Molecular FormulaC20H15ClF3N7
Molecular Weight445.84 g/mol
Exact Mass445.10
IUPAC NameN-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESFc1ccc(N2CCCn3nc(Nc4ccc(-n5cnc(Cl)c5)c(F)c4)nc32)cc1F
InChIInChI=1S/C20H15ClF3N7/c21-18-10-29(11-25-18)17-5-2-12(8-16(17)24)26-19-27-20-30(6-1-7-31(20)28-19)13-3-4-14(22)15(23)9-13/h2-5,8-11H,1,6-7H2,(H,26,28)
InChIKeyNQENJCMLAPAXKY-UHFFFAOYSA-N
XLogP4.82
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.84
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine with MolForge

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Related Compounds

N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 134415348
4-(3,4-difluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 134415313
(9S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-(3,4-difluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 46864536
N-[(1R,5S)-3-(2-chloro-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 146306631
N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-(3,4,5-trifluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 58110127
2-(4-chloroimidazol-1-yl)-5-[[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile
CID 46864631
4-chloro-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
CID 139415502
N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 58110101
N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 87181603
(9S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
CID 66860735
N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-9-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine;2,2,2-trifluoroacetic acid
CID 46864764
2-bromo-4-(3,4-difluorophenyl)-5,6-dihydroimidazo[1,2-b][1,2,4]triazole
CID 134400664

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 134415360) is N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Fc1ccc(N2CCCn3nc(Nc4ccc(-n5cnc(Cl)c5)c(F)c4)nc32)cc1F.
What is the InChIKey of N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is NQENJCMLAPAXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N7/c21-18-10-29(11-25-18)17-5-2-12(8-16(17)24)26-19-27-20-30(6-1-7-31(20)28-19)13-3-4-14(22)15(23)9-13/h2-5,8-11H,1,6-7H2,(H,26,28).
What are the key properties of N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 445.84 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroimidazol-1-yl)-3-fluorophenyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 134415360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).