7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide

C33H27F2N11O3 — CID 71148021

IUPAC7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide
SMILESCN(C(=O)c1cnn2c(C(=O)N[C@H]3CCc4cc(-c5nnnn5N)ccc43)cc(C(=O)NCc3ccc(F)c(F)c3)nc12)c1ccccc1
InChIInChI=1S/C33H27F2N11O3/c1-44(21-5-3-2-4-6-21)33(49)23-17-38-45-28(15-27(39-30(23)45)31(47)37-16-18-7-11-24(34)25(35)13-18)32(48)40-26-12-9-19-14-20(8-10-22(19)26)29-41-42-43-46(29)36/h2-8,10-11,13-15,17,26H,9,12,16,36H2,1H3,(H,37,47)(H,40,48)/t26-/m0/s1
InChIKeyKGXYURFQKMUKOP-SANMLTNESA-N
MW663.65 g/mol
LogP3.00
Rot. Bonds8

About 7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide

7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide (PubChem CID 71148021) has the molecular formula C33H27F2N11O3 and a molecular weight of 663.65 g/mol. Its IUPAC name is 7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide.

Molecular Properties

Compound Name7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide
PubChem CID71148021
Molecular FormulaC33H27F2N11O3
Molecular Weight663.65 g/mol
Exact Mass663.23
IUPAC Name7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide
SMILESCN(C(=O)c1cnn2c(C(=O)N[C@H]3CCc4cc(-c5nnnn5N)ccc43)cc(C(=O)NCc3ccc(F)c(F)c3)nc12)c1ccccc1
InChIInChI=1S/C33H27F2N11O3/c1-44(21-5-3-2-4-6-21)33(49)23-17-38-45-28(15-27(39-30(23)45)31(47)37-16-18-7-11-24(34)25(35)13-18)32(48)40-26-12-9-19-14-20(8-10-22(19)26)29-41-42-43-46(29)36/h2-8,10-11,13-15,17,26H,9,12,16,36H2,1H3,(H,37,47)(H,40,48)/t26-/m0/s1
InChIKeyKGXYURFQKMUKOP-SANMLTNESA-N
XLogP3.00
TPSA178.32 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.65
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide 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

tert-butyl (1S)-1-[[3-[2-(2-chlorophenyl)acetyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 146787070
(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-3-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl (1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-3-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
CID 159529328
ethyl (1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-3-iodopyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
CID 149185083
5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-5-(2-iodopropan-2-yloxycarbonyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 147341161
(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-3-(phenylcarbamoylamino)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 58916646
2-chloroaniline;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-3-carboxylic acid
CID 160744086
5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 89126269
7-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-5-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide
CID 91139694
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide
CID 90912344
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;(1S)-1-[[3-carbamoyl-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 159542139
7-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59463052
(1S)-1-[[5-[(3-acetamido-4-fluorophenyl)methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59461099

Frequently Asked Questions

What is the IUPAC name of 7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide?
The IUPAC name of 7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide (CID 71148021) is 7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide.
What is the SMILES notation for 7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide?
The canonical SMILES for 7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide is CN(C(=O)c1cnn2c(C(=O)N[C@H]3CCc4cc(-c5nnnn5N)ccc43)cc(C(=O)NCc3ccc(F)c(F)c3)nc12)c1ccccc1.
What is the InChIKey of 7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide?
The InChIKey is KGXYURFQKMUKOP-SANMLTNESA-N. The full InChI is InChI=1S/C33H27F2N11O3/c1-44(21-5-3-2-4-6-21)33(49)23-17-38-45-28(15-27(39-30(23)45)31(47)37-16-18-7-11-24(34)25(35)13-18)32(48)40-26-12-9-19-14-20(8-10-22(19)26)29-41-42-43-46(29)36/h2-8,10-11,13-15,17,26H,9,12,16,36H2,1H3,(H,37,47)(H,40,48)/t26-/m0/s1.
What are the key properties of 7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide?
7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide has a molecular weight of 663.65 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(1S)-5-(1-aminotetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-methyl-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide is sourced from PubChem (CID 71148021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).