3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium

C98H110Cl3N27O18S — CID 163983986

About 3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium

3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium (PubChem CID 163983986) has the molecular formula C98H110Cl3N27O18S and a molecular weight of 2092.55 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium.

Molecular Properties

• Compound Name: 3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium
• PubChem CID: 163983986
• Molecular Formula: C98H110Cl3N27O18S
• Molecular Weight: 2092.55 g/mol
• Exact Mass: 2089.73
• IUPAC Name: 3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium
• SMILES: CCOC(=O)c1cnn2c(Cl)cc(Cl)nc12.CCOC(=O)c1cnn2c(NC)cc(Cl)nc12.CCOC(=O)c1cnn2c(NC)cc(Nc3cccc4c3OCCC4)nc12.CN1CC[C@@H]([NH3+])C1=O.CNc1cc(Nc2cccc3c2OCCC3)nc2c(C(=O)N[C@@H]3CCN(C)C3=O)cnn12.CNc1cc(Nc2cccc3c2OCCC3)nc2c(C(=O)O)cnn12.Cc1ccc(S(=O)(=O)[O-])cc1.Nc1cccc2c1OCCC2
• InChI: InChI=1S/C22H25N7O3.C19H21N5O3.C17H17N5O3.C10H11ClN4O2.C9H7Cl2N3O2.C9H11NO.C7H8O3S.C5H10N2O/c1-23-18-11-17(25-15-7-3-5-13-6-4-10-32-19(13)15)27-20-14(12-24-29(18)20)21(30)26-16-8-9-28(2)22(16)31;1-3-26-19(25)13-11-21-24-16(20-2)10-15(23-18(13)24)22-14-8-4-6-12-7-5-9-27-17(12)14;1-18-14-8-13(21-16-11(17(23)24)9-19-22(14)16)20-12-6-2-4-10-5-3-7-25-15(10)12;1-3-17-10(16)6-5-13-15-8(12-2)4-7(11)14-9(6)15;1-2-16-9(15)5-4-12-14-7(11)3-6(10)13-8(5)14;10-8-5-1-3-7-4-2-6-11-9(7)8;1-6-2-4-7(5-3-6)11(8,9)10;1-7-3-2-4(6)5(7)8/h3,5,7,11-12,16,23H,4,6,8-10H2,1-2H3,(H,25,27)(H,26,30);4,6,8,10-11,20H,3,5,7,9H2,1-2H3,(H,22,23);2,4,6,8-9,18H,3,5,7H2,1H3,(H,20,21)(H,23,24);4-5,12H,3H2,1-2H3;3-4H,2H2,1H3;1,3,5H,2,4,6,10H2;2-5H,1H3,(H,8,9,10);4H,2-3,6H2,1H3/t16-;;;;;;;4-/m1......1/s1
• InChIKey: MTQWYKVJFLICJW-TVMZLIJJSA-N
• XLogP: 12.12
• TPSA: 568.86 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 20
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2092.55
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium?

The IUPAC name of 3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium (CID 163983986) is 3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium.

What is the SMILES notation for 3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium?

The canonical SMILES for 3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium is CCOC(=O)c1cnn2c(Cl)cc(Cl)nc12.CCOC(=O)c1cnn2c(NC)cc(Cl)nc12.CCOC(=O)c1cnn2c(NC)cc(Nc3cccc4c3OCCC4)nc12.CN1CC[C@@H]([NH3+])C1=O.CNc1cc(Nc2cccc3c2OCCC3)nc2c(C(=O)N[C@@H]3CCN(C)C3=O)cnn12.CNc1cc(Nc2cccc3c2OCCC3)nc2c(C(=O)O)cnn12.Cc1ccc(S(=O)(=O)[O-])cc1.Nc1cccc2c1OCCC2.

What is the InChIKey of 3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium?

The InChIKey is MTQWYKVJFLICJW-TVMZLIJJSA-N. The full InChI is InChI=1S/C22H25N7O3.C19H21N5O3.C17H17N5O3.C10H11ClN4O2.C9H7Cl2N3O2.C9H11NO.C7H8O3S.C5H10N2O/c1-23-18-11-17(25-15-7-3-5-13-6-4-10-32-19(13)15)27-20-14(12-24-29(18)20)21(30)26-16-8-9-28(2)22(16)31;1-3-26-19(25)13-11-21-24-16(20-2)10-15(23-18(13)24)22-14-8-4-6-12-7-5-9-27-17(12)14;1-18-14-8-13(21-16-11(17(23)24)9-19-22(14)16)20-12-6-2-4-10-5-3-7-25-15(10)12;1-3-17-10(16)6-5-13-15-8(12-2)4-7(11)14-9(6)15;1-2-16-9(15)5-4-12-14-7(11)3-6(10)13-8(5)14;10-8-5-1-3-7-4-2-6-11-9(7)8;1-6-2-4-7(5-3-6)11(8,9)10;1-7-3-2-4(6)5(7)8/h3,5,7,11-12,16,23H,4,6,8-10H2,1-2H3,(H,25,27)(H,26,30);4,6,8,10-11,20H,3,5,7,9H2,1-2H3,(H,22,23);2,4,6,8-9,18H,3,5,7H2,1H3,(H,20,21)(H,23,24);4-5,12H,3H2,1-2H3;3-4H,2H2,1H3;1,3,5H,2,4,6,10H2;2-5H,1H3,(H,8,9,10);4H,2-3,6H2,1H3/t16-;;;;;;;4-/m1......1/s1.

What are the key properties of 3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium?

3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium has a molecular weight of 2092.55 g/mol, XLogP of 12.12, 20 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydro-2H-chromen-8-amine;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3,4-dihydro-2H-chromen-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-methylbenzenesulfonate;[(3R)-1-methyl-2-oxopyrrolidin-3-yl]azanium is sourced from PubChem (CID 163983986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).