7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C24H26N6O4 — CID 67540840

IUPAC7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1ccccc1Nc1c(C(=O)N2CCC(C3=CN(C)CO3)CC2)cnc2c(C(=O)O)cnn12
InChIInChI=1S/C24H26N6O4/c1-15-5-3-4-6-19(15)27-22-17(11-25-21-18(24(32)33)12-26-30(21)22)23(31)29-9-7-16(8-10-29)20-13-28(2)14-34-20/h3-6,11-13,16,27H,7-10,14H2,1-2H3,(H,32,33)
InChIKeyGNTGHLAORCKZSN-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.09
Rot. Bonds5

About 7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 67540840) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID67540840
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Name7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1ccccc1Nc1c(C(=O)N2CCC(C3=CN(C)CO3)CC2)cnc2c(C(=O)O)cnn12
InChIInChI=1S/C24H26N6O4/c1-15-5-3-4-6-19(15)27-22-17(11-25-21-18(24(32)33)12-26-30(21)22)23(31)29-9-7-16(8-10-29)20-13-28(2)14-34-20/h3-6,11-13,16,27H,7-10,14H2,1-2H3,(H,32,33)
InChIKeyGNTGHLAORCKZSN-UHFFFAOYSA-N
XLogP3.09
TPSA112.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-(2-methylanilino)-6-(4-phenylpiperidine-1-carbonyl)-N-(2,2,2-trifluoroethylsulfonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67541359
ethyl 7-(2-fluoro-3-methylanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 67539869
7-(2-phenylmethoxyanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67540386
[3-bromo-7-(2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 67540320
N-ethylsulfonyl-7-[(2-methyl-3-pyridinyl)amino]-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67541391
N-ethylsulfonyl-7-(2-methylanilino)-6-(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67541203
7-(benzylamino)-6-[4-(2-methylphenyl)piperidine-1-carbonyl]-N-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67540592
7-(4-fluoro-2-methylanilino)-6-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67540926
7-(1H-indol-6-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67540852
N-[2-[7-(benzylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]phenyl]methanesulfonamide
CID 67539991
N-ethylsulfonyl-6-(5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)-7-(2-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67539456
[3-bromo-7-(2-chloro-3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone
CID 67540868

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 67540840) is 7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1ccccc1Nc1c(C(=O)N2CCC(C3=CN(C)CO3)CC2)cnc2c(C(=O)O)cnn12.
What is the InChIKey of 7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is GNTGHLAORCKZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-15-5-3-4-6-19(15)27-22-17(11-25-21-18(24(32)33)12-26-30(21)22)23(31)29-9-7-16(8-10-29)20-13-28(2)14-34-20/h3-6,11-13,16,27H,7-10,14H2,1-2H3,(H,32,33).
What are the key properties of 7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 462.51 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylanilino)-6-[4-(3-methyl-2H-1,3-oxazol-5-yl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 67540840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).