7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C53H47Cl2F3N10O6 — CID 155141070

IUPAC7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1c(F)cc(F)c(-c2c(C)nn3c(N4CCOC(c5ccc(-c6c(C)nn7c(N(C)C)c(C(=O)N[C@H]8CCOc9ccccc98)cnc67)c(Cl)c5Cl)C4)c(C(=O)N[C@H]4CCOc5ccccc54)cnc23)c1F
InChIInChI=1S/C53H47Cl2F3N10O6/c1-26-41(48-59-23-32(52(65(3)4)67(48)63-26)50(69)61-36-16-19-72-38-12-8-6-10-28(36)38)31-15-14-30(44(54)45(31)55)40-25-66(18-21-74-40)53-33(51(70)62-37-17-20-73-39-13-9-7-11-29(37)39)24-60-49-42(27(2)64-68(49)53)43-34(56)22-35(57)47(71-5)46(43)58/h6-15,22-24,36-37,40H,16-21,25H2,1-5H3,(H,61,69)(H,62,70)/t36-,37-,40?/m0/s1
InChIKeyQIKVJJPDQYGGOA-LFOSQWHESA-N
MW1047.92 g/mol
LogP9.61
Rot. Bonds10

About 7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 155141070) has the molecular formula C53H47Cl2F3N10O6 and a molecular weight of 1047.92 g/mol. Its IUPAC name is 7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID155141070
Molecular FormulaC53H47Cl2F3N10O6
Molecular Weight1047.92 g/mol
Exact Mass1046.30
IUPAC Name7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1c(F)cc(F)c(-c2c(C)nn3c(N4CCOC(c5ccc(-c6c(C)nn7c(N(C)C)c(C(=O)N[C@H]8CCOc9ccccc98)cnc67)c(Cl)c5Cl)C4)c(C(=O)N[C@H]4CCOc5ccccc54)cnc23)c1F
InChIInChI=1S/C53H47Cl2F3N10O6/c1-26-41(48-59-23-32(52(65(3)4)67(48)63-26)50(69)61-36-16-19-72-38-12-8-6-10-28(36)38)31-15-14-30(44(54)45(31)55)40-25-66(18-21-74-40)53-33(51(70)62-37-17-20-73-39-13-9-7-11-29(37)39)24-60-49-42(27(2)64-68(49)53)43-34(56)22-35(57)47(71-5)46(43)58/h6-15,22-24,36-37,40H,16-21,25H2,1-5H3,(H,61,69)(H,62,70)/t36-,37-,40?/m0/s1
InChIKeyQIKVJJPDQYGGOA-LFOSQWHESA-N
XLogP9.61
TPSA161.98 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001047.92
LogP ≤ 59.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 155141070) is 7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1c(F)cc(F)c(-c2c(C)nn3c(N4CCOC(c5ccc(-c6c(C)nn7c(N(C)C)c(C(=O)N[C@H]8CCOc9ccccc98)cnc67)c(Cl)c5Cl)C4)c(C(=O)N[C@H]4CCOc5ccccc54)cnc23)c1F.
What is the InChIKey of 7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is QIKVJJPDQYGGOA-LFOSQWHESA-N. The full InChI is InChI=1S/C53H47Cl2F3N10O6/c1-26-41(48-59-23-32(52(65(3)4)67(48)63-26)50(69)61-36-16-19-72-38-12-8-6-10-28(36)38)31-15-14-30(44(54)45(31)55)40-25-66(18-21-74-40)53-33(51(70)62-37-17-20-73-39-13-9-7-11-29(37)39)24-60-49-42(27(2)64-68(49)53)43-34(56)22-35(57)47(71-5)46(43)58/h6-15,22-24,36-37,40H,16-21,25H2,1-5H3,(H,61,69)(H,62,70)/t36-,37-,40?/m0/s1.
What are the key properties of 7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 1047.92 g/mol, XLogP of 9.61, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2,3-dichloro-4-[6-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholin-4-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2,4,6-trifluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 155141070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).