2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone

C48H49N19O4 — CID 157063078

IUPAC2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone
SMILESCN1CCN(C(=O)c2cnc3c(-c4ccccn4)c(N)nn3c2)CC1.Nc1nn2cc(C(=O)N3CCOCC3)cnc2c1-c1ccccn1.Nc1nn2cc(C(=O)NC3CC3)cnc2c1-c1ccccn1
InChIInChI=1S/C17H19N7O.C16H16N6O2.C15H14N6O/c1-22-6-8-23(9-7-22)17(25)12-10-20-16-14(13-4-2-3-5-19-13)15(18)21-24(16)11-12;17-14-13(12-3-1-2-4-18-12)15-19-9-11(10-22(15)20-14)16(23)21-5-7-24-8-6-21;16-13-12(11-3-1-2-6-17-11)14-18-7-9(8-21(14)20-13)15(22)19-10-4-5-10/h2-5,10-11H,6-9H2,1H3,(H2,18,21);1-4,9-10H,5-8H2,(H2,17,20);1-3,6-8,10H,4-5H2,(H2,16,20)(H,19,22)
InChIKeyABNYNJTVCXNZPA-UHFFFAOYSA-N
MW956.05 g/mol
LogP2.87
Rot. Bonds7

About 2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone

2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone (PubChem CID 157063078) has the molecular formula C48H49N19O4 and a molecular weight of 956.05 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone
PubChem CID157063078
Molecular FormulaC48H49N19O4
Molecular Weight956.05 g/mol
Exact Mass955.42
IUPAC Name2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone
SMILESCN1CCN(C(=O)c2cnc3c(-c4ccccn4)c(N)nn3c2)CC1.Nc1nn2cc(C(=O)N3CCOCC3)cnc2c1-c1ccccn1.Nc1nn2cc(C(=O)NC3CC3)cnc2c1-c1ccccn1
InChIInChI=1S/C17H19N7O.C16H16N6O2.C15H14N6O/c1-22-6-8-23(9-7-22)17(25)12-10-20-16-14(13-4-2-3-5-19-13)15(18)21-24(16)11-12;17-14-13(12-3-1-2-4-18-12)15-19-9-11(10-22(15)20-14)16(23)21-5-7-24-8-6-21;16-13-12(11-3-1-2-6-17-11)14-18-7-9(8-21(14)20-13)15(22)19-10-4-5-10/h2-5,10-11H,6-9H2,1H3,(H2,18,21);1-4,9-10H,5-8H2,(H2,17,20);1-3,6-8,10H,4-5H2,(H2,16,20)(H,19,22)
InChIKeyABNYNJTVCXNZPA-UHFFFAOYSA-N
XLogP2.87
TPSA289.49 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.05
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone?
The IUPAC name of 2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone (CID 157063078) is 2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for 2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone?
The canonical SMILES for 2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone is CN1CCN(C(=O)c2cnc3c(-c4ccccn4)c(N)nn3c2)CC1.Nc1nn2cc(C(=O)N3CCOCC3)cnc2c1-c1ccccn1.Nc1nn2cc(C(=O)NC3CC3)cnc2c1-c1ccccn1.
What is the InChIKey of 2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone?
The InChIKey is ABNYNJTVCXNZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O.C16H16N6O2.C15H14N6O/c1-22-6-8-23(9-7-22)17(25)12-10-20-16-14(13-4-2-3-5-19-13)15(18)21-24(16)11-12;17-14-13(12-3-1-2-4-18-12)15-19-9-11(10-22(15)20-14)16(23)21-5-7-24-8-6-21;16-13-12(11-3-1-2-6-17-11)14-18-7-9(8-21(14)20-13)15(22)19-10-4-5-10/h2-5,10-11H,6-9H2,1H3,(H2,18,21);1-4,9-10H,5-8H2,(H2,17,20);1-3,6-8,10H,4-5H2,(H2,16,20)(H,19,22).
What are the key properties of 2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone?
2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone has a molecular weight of 956.05 g/mol, XLogP of 2.87, 7 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 157063078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).