5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate

C33H27F4N9O5 — CID 158252758

IUPAC5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2nc(C(=O)NCc3ccc(F)c(F)c3)cc(C)n2n1.Cc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2cc(C(N)=O)nn12
InChIInChI=1S/C17H14F2N4O3.C16H13F2N5O2/c1-9-5-13(21-15-7-14(17(25)26-2)22-23(9)15)16(24)20-8-10-3-4-11(18)12(19)6-10;1-8-4-13(21-14-6-12(15(19)24)22-23(8)14)16(25)20-7-9-2-3-10(17)11(18)5-9/h3-7H,8H2,1-2H3,(H,20,24);2-6H,7H2,1H3,(H2,19,24)(H,20,25)
InChIKeyGGXMGKGOPZHSEX-UHFFFAOYSA-N
MW705.63 g/mol
LogP3.38
Rot. Bonds8

About 5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate

5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 158252758) has the molecular formula C33H27F4N9O5 and a molecular weight of 705.63 g/mol. Its IUPAC name is 5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID158252758
Molecular FormulaC33H27F4N9O5
Molecular Weight705.63 g/mol
Exact Mass705.21
IUPAC Name5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2nc(C(=O)NCc3ccc(F)c(F)c3)cc(C)n2n1.Cc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2cc(C(N)=O)nn12
InChIInChI=1S/C17H14F2N4O3.C16H13F2N5O2/c1-9-5-13(21-15-7-14(17(25)26-2)22-23(9)15)16(24)20-8-10-3-4-11(18)12(19)6-10;1-8-4-13(21-14-6-12(15(19)24)22-23(8)14)16(25)20-7-9-2-3-10(17)11(18)5-9/h3-7H,8H2,1-2H3,(H,20,24);2-6H,7H2,1H3,(H2,19,24)(H,20,25)
InChIKeyGGXMGKGOPZHSEX-UHFFFAOYSA-N
XLogP3.38
TPSA187.97 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.63
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate 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

Methyl 2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-YL)-10-methyl-8-(trifluoromethyl)pyrido[2',3':3,4]pyrazolo[1,5-A]pyrimidine-4-carboxylate
CID 29091010
Methyl 10-methyl-8-(trifluoromethyl)-2-(1,3,5-trimethyl-1H-pyrazol-4-YL)pyrido[2',3':3,4]pyrazolo[1,5-A]pyrimidine-4-carboxylate
CID 29091567
Ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 20729814
Methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 20729817
Methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 25057946
5-[(3,4-Difluorophenyl)methylcarbamoyl]-2-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 58916604
Methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-3-iodopyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 58916611
methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 58916647
5-(3,4-Difluoro-benzylcarbamoyl)-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid methyl ester
CID 58916650
methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 58916738
Methyl 5-[(3,5-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 59460769
7-[(3,4-Difluorophenyl)methylcarbamoyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 59461220

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 158252758) is 5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for 5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for 5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1cc2nc(C(=O)NCc3ccc(F)c(F)c3)cc(C)n2n1.Cc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2cc(C(N)=O)nn12.
What is the InChIKey of 5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is GGXMGKGOPZHSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3.C16H13F2N5O2/c1-9-5-13(21-15-7-14(17(25)26-2)22-23(9)15)16(24)20-8-10-3-4-11(18)12(19)6-10;1-8-4-13(21-14-6-12(15(19)24)22-23(8)14)16(25)20-7-9-2-3-10(17)11(18)5-9/h3-7H,8H2,1-2H3,(H,20,24);2-6H,7H2,1H3,(H2,19,24)(H,20,25).
What are the key properties of 5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 705.63 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 158252758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).