N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C82H74N20O6 — CID 158908194

IUPACN-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#CC(C)C)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#CC3CC3)c2c(=O)n1C1CC1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#Cc3cncn3C)c2c(=O)n1C1CC1
InChIInChI=1S/C29H26N6O2.C27H24N8O2.C26H24N6O2/c1-18(2)14-15-21-10-8-13-23-25(21)29(37)35(22-11-6-5-7-12-22)26(32-23)20(4)31-28(36)24-19(3)33-34-17-9-16-30-27(24)34;1-16-22(25-29-12-5-13-34(25)32-16)26(36)30-17(2)24-31-21-7-4-6-18(8-9-20-14-28-15-33(20)3)23(21)27(37)35(24)19-10-11-19;1-15-21(24-27-13-4-14-31(24)30-15)25(33)28-16(2)23-29-20-6-3-5-18(10-9-17-7-8-17)22(20)26(34)32(23)19-11-12-19/h5-13,16-18,20H,1-4H3,(H,31,36);4-7,12-15,17,19H,10-11H2,1-3H3,(H,30,36);3-6,13-14,16-17,19H,7-8,11-12H2,1-2H3,(H,28,33)/t20-;17-;16-/m000/s1
InChIKeyJGHTWWMCYVCTOF-IBEHLCCFSA-N
MW1435.63 g/mol
LogP10.28
Rot. Bonds12

About N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158908194) has the molecular formula C82H74N20O6 and a molecular weight of 1435.63 g/mol. Its IUPAC name is N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158908194
Molecular FormulaC82H74N20O6
Molecular Weight1435.63 g/mol
Exact Mass1434.61
IUPAC NameN-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#CC(C)C)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#CC3CC3)c2c(=O)n1C1CC1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#Cc3cncn3C)c2c(=O)n1C1CC1
InChIInChI=1S/C29H26N6O2.C27H24N8O2.C26H24N6O2/c1-18(2)14-15-21-10-8-13-23-25(21)29(37)35(22-11-6-5-7-12-22)26(32-23)20(4)31-28(36)24-19(3)33-34-17-9-16-30-27(24)34;1-16-22(25-29-12-5-13-34(25)32-16)26(36)30-17(2)24-31-21-7-4-6-18(8-9-20-14-28-15-33(20)3)23(21)27(37)35(24)19-10-11-19;1-15-21(24-27-13-4-14-31(24)30-15)25(33)28-16(2)23-29-20-6-3-5-18(10-9-17-7-8-17)22(20)26(34)32(23)19-11-12-19/h5-13,16-18,20H,1-4H3,(H,31,36);4-7,12-15,17,19H,10-11H2,1-3H3,(H,30,36);3-6,13-14,16-17,19H,7-8,11-12H2,1-2H3,(H,28,33)/t20-;17-;16-/m000/s1
InChIKeyJGHTWWMCYVCTOF-IBEHLCCFSA-N
XLogP10.28
TPSA300.36 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001435.63
LogP ≤ 510.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

TRK degrader CG416
CID 146410659
2-amino-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004010
2-amino-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004012
PROTAC CDK2/9 Degrader-1
CID 145925673
N-[4-[[4-[4-[1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-4-yl]butanoyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 156013418
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-4-oxo-4-[4-[4-[(5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]cyclohexyl]piperazin-1-yl]butanamide
CID 162650502
4-[[6-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-6-oxohexyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162662408
N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-4-oxo-4-[4-[4-[(5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]cyclohexyl]piperazin-1-yl]butanamide
CID 162670553
N-[4-[[4-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 156012504
N-[4-[[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 156016225
N-[4-[[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 156020883
2-(2,6-dioxopiperidin-3-yl)-4-[[7-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-7-oxoheptyl]amino]isoindole-1,3-dione
CID 146410273

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158908194) is N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#CC(C)C)c2c(=O)n1-c1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#CC3CC3)c2c(=O)n1C1CC1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#Cc3cncn3C)c2c(=O)n1C1CC1.
What is the InChIKey of N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JGHTWWMCYVCTOF-IBEHLCCFSA-N. The full InChI is InChI=1S/C29H26N6O2.C27H24N8O2.C26H24N6O2/c1-18(2)14-15-21-10-8-13-23-25(21)29(37)35(22-11-6-5-7-12-22)26(32-23)20(4)31-28(36)24-19(3)33-34-17-9-16-30-27(24)34;1-16-22(25-29-12-5-13-34(25)32-16)26(36)30-17(2)24-31-21-7-4-6-18(8-9-20-14-28-15-33(20)3)23(21)27(37)35(24)19-10-11-19;1-15-21(24-27-13-4-14-31(24)30-15)25(33)28-16(2)23-29-20-6-3-5-18(10-9-17-7-8-17)22(20)26(34)32(23)19-11-12-19/h5-13,16-18,20H,1-4H3,(H,31,36);4-7,12-15,17,19H,10-11H2,1-3H3,(H,30,36);3-6,13-14,16-17,19H,7-8,11-12H2,1-2H3,(H,28,33)/t20-;17-;16-/m000/s1.
What are the key properties of N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1435.63 g/mol, XLogP of 10.28, 12 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[3-cyclopropyl-5-[2-(3-methylimidazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-(3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158908194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).