3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine

C41H44ClN7O7 — CID 157101128

IUPAC3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine
SMILESCc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)O)nc2c(C(=O)Nc3ccccc3Cl)cnn12.NCc1cccc(N2CCOCC2)c1
InChIInChI=1S/C30H28ClN5O6.C11H16N2O/c1-15-16-11-12-21(18(16)10-9-17(15)29(41)42-30(2,3)4)34-27(38)24-13-23(28(39)40)33-25-19(14-32-36(24)25)26(37)35-22-8-6-5-7-20(22)31;12-9-10-2-1-3-11(8-10)13-4-6-14-7-5-13/h5-10,13-14,21H,11-12H2,1-4H3,(H,34,38)(H,35,37)(H,39,40);1-3,8H,4-7,9,12H2/t21-;/m0./s1
InChIKeyAFTUMINSSJRKPB-BOXHHOBZSA-N
MW782.30 g/mol
LogP6.00
Rot. Bonds8

About 3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine

3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine (PubChem CID 157101128) has the molecular formula C41H44ClN7O7 and a molecular weight of 782.30 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine
PubChem CID157101128
Molecular FormulaC41H44ClN7O7
Molecular Weight782.30 g/mol
Exact Mass781.30
IUPAC Name3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine
SMILESCc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)O)nc2c(C(=O)Nc3ccccc3Cl)cnn12.NCc1cccc(N2CCOCC2)c1
InChIInChI=1S/C30H28ClN5O6.C11H16N2O/c1-15-16-11-12-21(18(16)10-9-17(15)29(41)42-30(2,3)4)34-27(38)24-13-23(28(39)40)33-25-19(14-32-36(24)25)26(37)35-22-8-6-5-7-20(22)31;12-9-10-2-1-3-11(8-10)13-4-6-14-7-5-13/h5-10,13-14,21H,11-12H2,1-4H3,(H,34,38)(H,35,37)(H,39,40);1-3,8H,4-7,9,12H2/t21-;/m0./s1
InChIKeyAFTUMINSSJRKPB-BOXHHOBZSA-N
XLogP6.00
TPSA190.48 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500782.30
LogP ≤ 56.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine 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

(1S)-1-[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 12000811
(1S)-1-[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 12001338
(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-3-[(2-fluorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 23624269
(1R,2R)-1-[[7-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 24872803
(1R,2S)-1-[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 24873040
(1R,2R)-1-[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 24873281
(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 25016846
(1S)-1-[[3-[(4-chlorophenyl)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 25016847
(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3-fluoro-4-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 25017097
4-[[[3-[(2-Chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-2-methylbenzoic acid
CID 25018137
4-[(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]ethyl]-2-methylbenzoic acid
CID 25018634
4-[(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]ethyl]benzoic acid
CID 25018635

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine?
The IUPAC name of 3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine (CID 157101128) is 3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine.
What is the SMILES notation for 3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine?
The canonical SMILES for 3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine is Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)O)nc2c(C(=O)Nc3ccccc3Cl)cnn12.NCc1cccc(N2CCOCC2)c1.
What is the InChIKey of 3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine?
The InChIKey is AFTUMINSSJRKPB-BOXHHOBZSA-N. The full InChI is InChI=1S/C30H28ClN5O6.C11H16N2O/c1-15-16-11-12-21(18(16)10-9-17(15)29(41)42-30(2,3)4)34-27(38)24-13-23(28(39)40)33-25-19(14-32-36(24)25)26(37)35-22-8-6-5-7-20(22)31;12-9-10-2-1-3-11(8-10)13-4-6-14-7-5-13/h5-10,13-14,21H,11-12H2,1-4H3,(H,34,38)(H,35,37)(H,39,40);1-3,8H,4-7,9,12H2/t21-;/m0./s1.
What are the key properties of 3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine?
3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine has a molecular weight of 782.30 g/mol, XLogP of 6.00, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)carbamoyl]-7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;(3-morpholin-4-ylphenyl)methanamine is sourced from PubChem (CID 157101128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).