2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C64H68N24O7 — CID 157161071

IUPAC2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccn3)c(N)nn2c1.Nc1nn2cc(C(=O)NCCCN3CCCC3)cnc2c1-c1ccccn1.Nc1nn2cc(C(=O)NCCCN3CCOCC3)cnc2c1-c1ccccn1.Nc1nn2cc(C(=O)O)cnc2c1-c1ccccn1
InChIInChI=1S/C19H23N7O2.C19H23N7O.C14H13N5O2.C12H9N5O2/c20-17-16(15-4-1-2-5-21-15)18-23-12-14(13-26(18)24-17)19(27)22-6-3-7-25-8-10-28-11-9-25;20-17-16(15-6-1-2-7-21-15)18-23-12-14(13-26(18)24-17)19(27)22-8-5-11-25-9-3-4-10-25;1-2-21-14(20)9-7-17-13-11(10-5-3-4-6-16-10)12(15)18-19(13)8-9;13-10-9(8-3-1-2-4-14-8)11-15-5-7(12(18)19)6-17(11)16-10/h1-2,4-5,12-13H,3,6-11H2,(H2,20,24)(H,22,27);1-2,6-7,12-13H,3-5,8-11H2,(H2,20,24)(H,22,27);3-8H,2H2,1H3,(H2,15,18);1-6H,(H2,13,16)(H,18,19)
InChIKeyAMJMWKSGQYCTAW-UHFFFAOYSA-N
MW1285.41 g/mol
LogP5.04
Rot. Bonds17

About 2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate

2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 157161071) has the molecular formula C64H68N24O7 and a molecular weight of 1285.41 g/mol. Its IUPAC name is 2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID157161071
Molecular FormulaC64H68N24O7
Molecular Weight1285.41 g/mol
Exact Mass1284.57
IUPAC Name2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccn3)c(N)nn2c1.Nc1nn2cc(C(=O)NCCCN3CCCC3)cnc2c1-c1ccccn1.Nc1nn2cc(C(=O)NCCCN3CCOCC3)cnc2c1-c1ccccn1.Nc1nn2cc(C(=O)O)cnc2c1-c1ccccn1
InChIInChI=1S/C19H23N7O2.C19H23N7O.C14H13N5O2.C12H9N5O2/c20-17-16(15-4-1-2-5-21-15)18-23-12-14(13-26(18)24-17)19(27)22-6-3-7-25-8-10-28-11-9-25;20-17-16(15-6-1-2-7-21-15)18-23-12-14(13-26(18)24-17)19(27)22-8-5-11-25-9-3-4-10-25;1-2-21-14(20)9-7-17-13-11(10-5-3-4-6-16-10)12(15)18-19(13)8-9;13-10-9(8-3-1-2-4-14-8)11-15-5-7(12(18)19)6-17(11)16-10/h1-2,4-5,12-13H,3,6-11H2,(H2,20,24)(H,22,27);1-2,6-7,12-13H,3-5,8-11H2,(H2,20,24)(H,22,27);3-8H,2H2,1H3,(H2,15,18);1-6H,(H2,13,16)(H,18,19)
InChIKeyAMJMWKSGQYCTAW-UHFFFAOYSA-N
XLogP5.04
TPSA413.91 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms95
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001285.41
LogP ≤ 55.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of 2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 157161071) is 2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for 2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for 2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(-c3ccccn3)c(N)nn2c1.Nc1nn2cc(C(=O)NCCCN3CCCC3)cnc2c1-c1ccccn1.Nc1nn2cc(C(=O)NCCCN3CCOCC3)cnc2c1-c1ccccn1.Nc1nn2cc(C(=O)O)cnc2c1-c1ccccn1.
What is the InChIKey of 2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is AMJMWKSGQYCTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2.C19H23N7O.C14H13N5O2.C12H9N5O2/c20-17-16(15-4-1-2-5-21-15)18-23-12-14(13-26(18)24-17)19(27)22-6-3-7-25-8-10-28-11-9-25;20-17-16(15-6-1-2-7-21-15)18-23-12-14(13-26(18)24-17)19(27)22-8-5-11-25-9-3-4-10-25;1-2-21-14(20)9-7-17-13-11(10-5-3-4-6-16-10)12(15)18-19(13)8-9;13-10-9(8-3-1-2-4-14-8)11-15-5-7(12(18)19)6-17(11)16-10/h1-2,4-5,12-13H,3,6-11H2,(H2,20,24)(H,22,27);1-2,6-7,12-13H,3-5,8-11H2,(H2,20,24)(H,22,27);3-8H,2H2,1H3,(H2,15,18);1-6H,(H2,13,16)(H,18,19).
What are the key properties of 2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 1285.41 g/mol, XLogP of 5.04, 17 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 157161071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).