N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C25H25ClF2N6O2 — CID 123256818

IUPACN-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC(C)(N)c1cc(-c2ccc(F)c(Cl)c2)nc(C(CO)(CF)CNC(=O)c2cn3cccnc3n2)c1
InChIInChI=1S/C25H25ClF2N6O2/c1-24(2,29)16-9-19(15-4-5-18(28)17(26)8-15)32-21(10-16)25(12-27,14-35)13-31-22(36)20-11-34-7-3-6-30-23(34)33-20/h3-11,35H,12-14,29H2,1-2H3,(H,31,36)
InChIKeySAXKBHGMDAKNAG-UHFFFAOYSA-N
MW514.96 g/mol
LogP3.41
Rot. Bonds8

About N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 123256818) has the molecular formula C25H25ClF2N6O2 and a molecular weight of 514.96 g/mol. Its IUPAC name is N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID123256818
Molecular FormulaC25H25ClF2N6O2
Molecular Weight514.96 g/mol
Exact Mass514.17
IUPAC NameN-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC(C)(N)c1cc(-c2ccc(F)c(Cl)c2)nc(C(CO)(CF)CNC(=O)c2cn3cccnc3n2)c1
InChIInChI=1S/C25H25ClF2N6O2/c1-24(2,29)16-9-19(15-4-5-18(28)17(26)8-15)32-21(10-16)25(12-27,14-35)13-31-22(36)20-11-34-7-3-6-30-23(34)33-20/h3-11,35H,12-14,29H2,1-2H3,(H,31,36)
InChIKeySAXKBHGMDAKNAG-UHFFFAOYSA-N
XLogP3.41
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.96
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

Asn-007
CID 124122366
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900258
4-(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl)piperazin-2-one
CID 46899593
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-3-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900108
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-4-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900259
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(tetrahydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900418
6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42690109
(R)-N-((3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-8-carbonyl)piperidin-3-yl)-2-hydroxy-3,3-dimethylbutanamide
CID 171627875
(R)-N-((3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-8-carbonyl)piperidin-3-yl)-2-(pyrrolidin-1-yl)propanamide
CID 171627913
(R)-N-((3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)-2-hydroxy-3,3-dimethylbutanamide
CID 171627921
N-((3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)-2-methyl-2-(2,2,2-trifluoroacetamido)propanamide
CID 171627989
(R)-N-((3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-8-carbonyl)piperidin-3-yl)-3-methyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 171628044

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 123256818) is N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide is CC(C)(N)c1cc(-c2ccc(F)c(Cl)c2)nc(C(CO)(CF)CNC(=O)c2cn3cccnc3n2)c1.
What is the InChIKey of N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is SAXKBHGMDAKNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF2N6O2/c1-24(2,29)16-9-19(15-4-5-18(28)17(26)8-15)32-21(10-16)25(12-27,14-35)13-31-22(36)20-11-34-7-3-6-30-23(34)33-20/h3-11,35H,12-14,29H2,1-2H3,(H,31,36).
What are the key properties of N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 514.96 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-(fluoromethyl)-3-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 123256818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).