(1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

C32H28FN7O5 — CID 59462834

IUPAC(1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)nc2ccnn12
InChIInChI=1S/C32H28FN7O5/c1-17-21-8-9-24(23(21)7-6-22(17)32(43)44)36-28(41)26-16-25(35-27-10-13-34-40(26)27)31(42)39-14-11-19(12-15-39)30-38-37-29(45-30)18-2-4-20(33)5-3-18/h2-7,10,13,16,19,24H,8-9,11-12,14-15H2,1H3,(H,36,41)(H,43,44)/t24-/m0/s1
InChIKeyXNDUMJYXBNLZMY-DEOSSOPVSA-N
MW609.62 g/mol
LogP4.36
Rot. Bonds6

About (1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

(1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 59462834) has the molecular formula C32H28FN7O5 and a molecular weight of 609.62 g/mol. Its IUPAC name is (1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID59462834
Molecular FormulaC32H28FN7O5
Molecular Weight609.62 g/mol
Exact Mass609.21
IUPAC Name(1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)nc2ccnn12
InChIInChI=1S/C32H28FN7O5/c1-17-21-8-9-24(23(21)7-6-22(17)32(43)44)36-28(41)26-16-25(35-27-10-13-34-40(26)27)31(42)39-14-11-19(12-15-39)30-38-37-29(45-30)18-2-4-20(33)5-3-18/h2-7,10,13,16,19,24H,8-9,11-12,14-15H2,1H3,(H,36,41)(H,43,44)/t24-/m0/s1
InChIKeyXNDUMJYXBNLZMY-DEOSSOPVSA-N
XLogP4.36
TPSA155.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.62
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid (CID 59462834) is (1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)nc2ccnn12.
What is the InChIKey of (1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is XNDUMJYXBNLZMY-DEOSSOPVSA-N. The full InChI is InChI=1S/C32H28FN7O5/c1-17-21-8-9-24(23(21)7-6-22(17)32(43)44)36-28(41)26-16-25(35-27-10-13-34-40(26)27)31(42)39-14-11-19(12-15-39)30-38-37-29(45-30)18-2-4-20(33)5-3-18/h2-7,10,13,16,19,24H,8-9,11-12,14-15H2,1H3,(H,36,41)(H,43,44)/t24-/m0/s1.
What are the key properties of (1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
(1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 609.62 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[[5-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 59462834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).