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

C28H23N11O4 — CID 91139694

IUPAC7-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
SMILESCc1nc2cc(CNC(=O)c3cc(C(=O)N[C@H]4CCc5cc(-c6nn[nH]n6)ccc54)nc4c(C(N)=O)cnn34)ccc2o1
InChIInChI=1S/C28H23N11O4/c1-13-32-20-8-14(2-7-23(20)43-13)11-30-28(42)22-10-21(33-26-18(24(29)40)12-31-39(22)26)27(41)34-19-6-4-15-9-16(3-5-17(15)19)25-35-37-38-36-25/h2-3,5,7-10,12,19H,4,6,11H2,1H3,(H2,29,40)(H,30,42)(H,34,41)(H,35,36,37,38)/t19-/m0/s1
InChIKeyFXQBBQSTXTUKJO-IBGZPJMESA-N
MW577.57 g/mol
LogP1.81
Rot. Bonds7

About 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

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 (PubChem CID 91139694) has the molecular formula C28H23N11O4 and a molecular weight of 577.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID91139694
Molecular FormulaC28H23N11O4
Molecular Weight577.57 g/mol
Exact Mass577.19
IUPAC Name7-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
SMILESCc1nc2cc(CNC(=O)c3cc(C(=O)N[C@H]4CCc5cc(-c6nn[nH]n6)ccc54)nc4c(C(N)=O)cnn34)ccc2o1
InChIInChI=1S/C28H23N11O4/c1-13-32-20-8-14(2-7-23(20)43-13)11-30-28(42)22-10-21(33-26-18(24(29)40)12-31-39(22)26)27(41)34-19-6-4-15-9-16(3-5-17(15)19)25-35-37-38-36-25/h2-3,5,7-10,12,19H,4,6,11H2,1H3,(H2,29,40)(H,30,42)(H,34,41)(H,35,36,37,38)/t19-/m0/s1
InChIKeyFXQBBQSTXTUKJO-IBGZPJMESA-N
XLogP1.81
TPSA211.97 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.57
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

5-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-3-oxo-7-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide
CID 91276772
7-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-3-sulfanylidene-5-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrimidine-5,7-dicarboxamide
CID 91247974
(1S)-1-[[7-[(2-methyl-1,3-benzoxazol-5-yl)methylcarbamoyl]triazolo[1,5-a]pyrimidine-5-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 90687612
6-N-[(2-methyl-1-benzofuran-6-yl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686938
4-N-[(4-fluoro-3-methylphenyl)methyl]-6-oxo-2-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-7H-imidazo[1,5-a]pyrimidine-2,4-dicarboxamide
CID 91416473
6-N-[(1-methylpyrazol-4-yl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686152
6-N-[(4-fluorophenyl)methyl]-4-N-[(1R)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58687132
6-N-[(5-methylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686508
6-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-N-[(1R)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686568
6-N-[(4-fluoro-3-methoxyphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 11677530
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
6-N-(1,2-benzoxazol-6-ylmethyl)-4-N-[(1R)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686852

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2cc(CNC(=O)c3cc(C(=O)N[C@H]4CCc5cc(-c6nn[nH]n6)ccc54)nc4c(C(N)=O)cnn34)ccc2o1.
What is the InChIKey of 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?
The InChIKey is FXQBBQSTXTUKJO-IBGZPJMESA-N. The full InChI is InChI=1S/C28H23N11O4/c1-13-32-20-8-14(2-7-23(20)43-13)11-30-28(42)22-10-21(33-26-18(24(29)40)12-31-39(22)26)27(41)34-19-6-4-15-9-16(3-5-17(15)19)25-35-37-38-36-25/h2-3,5,7-10,12,19H,4,6,11H2,1H3,(H2,29,40)(H,30,42)(H,34,41)(H,35,36,37,38)/t19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 577.57 g/mol, XLogP of 1.81, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91139694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).