N-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C51H45ClF4N16O6 — CID 164961187

IUPACN-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(N)c1cc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)ccc1Cl.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cncc(CN)c3)ccc2OC(F)F)n1
InChIInChI=1S/C27H25ClF2N8O3.C24H20F2N8O3/c1-36(2)24(31)17-11-15(5-7-20(17)28)40-16-6-8-22(41-27(29)30)18(12-16)23-21(14-37(3)35-23)34-26(39)19-13-33-38-10-4-9-32-25(19)38;1-33-13-19(31-23(35)18-12-30-34-6-2-5-29-22(18)34)21(32-33)17-8-15(3-4-20(17)37-24(25)26)36-16-7-14(9-27)10-28-11-16/h4-14,24,27H,31H2,1-3H3,(H,34,39);2-8,10-13,24H,9,27H2,1H3,(H,31,35)
InChIKeyBWAMDZLCARWGQP-UHFFFAOYSA-N
MW1089.47 g/mol
LogP8.58
Rot. Bonds17

About N-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164961187) has the molecular formula C51H45ClF4N16O6 and a molecular weight of 1089.47 g/mol. Its IUPAC name is N-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID164961187
Molecular FormulaC51H45ClF4N16O6
Molecular Weight1089.47 g/mol
Exact Mass1088.33
IUPAC NameN-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(N)c1cc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)ccc1Cl.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cncc(CN)c3)ccc2OC(F)F)n1
InChIInChI=1S/C27H25ClF2N8O3.C24H20F2N8O3/c1-36(2)24(31)17-11-15(5-7-20(17)28)40-16-6-8-22(41-27(29)30)18(12-16)23-21(14-37(3)35-23)34-26(39)19-13-33-38-10-4-9-32-25(19)38;1-33-13-19(31-23(35)18-12-30-34-6-2-5-29-22(18)34)21(32-33)17-8-15(3-4-20(17)37-24(25)26)36-16-7-14(9-27)10-28-11-16/h4-14,24,27H,31H2,1-3H3,(H,34,39);2-8,10-13,24H,9,27H2,1H3,(H,31,35)
InChIKeyBWAMDZLCARWGQP-UHFFFAOYSA-N
XLogP8.58
TPSA259.31 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001089.47
LogP ≤ 58.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522313
N-[1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522314
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522315
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522317
N-[1-[2-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522318
N-[1-[2-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522323
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522329
methyl 2-[[1-(2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-[pyrazolo[1,5-a]pyrimidine-3-amido]-1H-pyrazol-1-yl]acetyl)piperidin-4-yl]amino]-acetate
CID 118522334
N-[1-[2-[(3aS,6aS)-2-methyl-3a-phenyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522340
N-[1-[2-[(3aR,6aR)-2-methyl-3a-phenyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522341
N-[1-[2-[(3aR,6aS)-2-(cyclohexylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522345
ethyl 2-[[1-(2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-[pyrazolo[1,5-a]pyrimidine-3-amido]-1H-pyrazol-1-yl]acetyl)piperidin-4-yl]amino]-acetate
CID 118522348

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164961187) is N-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(N)c1cc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)ccc1Cl.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cncc(CN)c3)ccc2OC(F)F)n1.
What is the InChIKey of N-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BWAMDZLCARWGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF2N8O3.C24H20F2N8O3/c1-36(2)24(31)17-11-15(5-7-20(17)28)40-16-6-8-22(41-27(29)30)18(12-16)23-21(14-37(3)35-23)34-26(39)19-13-33-38-10-4-9-32-25(19)38;1-33-13-19(31-23(35)18-12-30-34-6-2-5-29-22(18)34)21(32-33)17-8-15(3-4-20(17)37-24(25)26)36-16-7-14(9-27)10-28-11-16/h4-14,24,27H,31H2,1-3H3,(H,34,39);2-8,10-13,24H,9,27H2,1H3,(H,31,35).
What are the key properties of N-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1089.47 g/mol, XLogP of 8.58, 17 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[3-[amino(dimethylamino)methyl]-4-chlorophenoxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-[[5-(aminomethyl)-3-pyridinyl]oxy]-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164961187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).