2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C71H87N29O4 — CID 159110881

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc2c(-c3ccccn3)c(N)nn2c1.CN(C)CCNC(=O)c1cnc2c(-c3ccccn3)c(N)nn2c1.CN1CCN(CCCNC(=O)c2cnc3c(-c4ccccn4)c(N)nn3c2)CC1.Nc1nn2cc(C(=O)NCC3CCNCC3)cnc2c1-c1ccccn1
InChIInChI=1S/C20H26N8O.C18H21N7O.C17H21N7O.C16H19N7O/c1-26-9-11-27(12-10-26)8-4-7-23-20(29)15-13-24-19-17(16-5-2-3-6-22-16)18(21)25-28(19)14-15;19-16-15(14-3-1-2-6-21-14)17-22-10-13(11-25(17)24-16)18(26)23-9-12-4-7-20-8-5-12;1-23(2)9-5-8-20-17(25)12-10-21-16-14(13-6-3-4-7-19-13)15(18)22-24(16)11-12;1-22(2)8-7-19-16(24)11-9-20-15-13(12-5-3-4-6-18-12)14(17)21-23(15)10-11/h2-3,5-6,13-14H,4,7-12H2,1H3,(H2,21,25)(H,23,29);1-3,6,10-12,20H,4-5,7-9H2,(H2,19,24)(H,23,26);3-4,6-7,10-11H,5,8-9H2,1-2H3,(H2,18,22)(H,20,25);3-6,9-10H,7-8H2,1-2H3,(H2,17,21)(H,19,24)
InChIKeyKELXMASKHNSQGX-UHFFFAOYSA-N
MW1410.68 g/mol
LogP3.56
Rot. Bonds21

About 2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 159110881) has the molecular formula C71H87N29O4 and a molecular weight of 1410.68 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID159110881
Molecular FormulaC71H87N29O4
Molecular Weight1410.68 g/mol
Exact Mass1409.75
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc2c(-c3ccccn3)c(N)nn2c1.CN(C)CCNC(=O)c1cnc2c(-c3ccccn3)c(N)nn2c1.CN1CCN(CCCNC(=O)c2cnc3c(-c4ccccn4)c(N)nn3c2)CC1.Nc1nn2cc(C(=O)NCC3CCNCC3)cnc2c1-c1ccccn1
InChIInChI=1S/C20H26N8O.C18H21N7O.C17H21N7O.C16H19N7O/c1-26-9-11-27(12-10-26)8-4-7-23-20(29)15-13-24-19-17(16-5-2-3-6-22-16)18(21)25-28(19)14-15;19-16-15(14-3-1-2-6-21-14)17-22-10-13(11-25(17)24-16)18(26)23-9-12-4-7-20-8-5-12;1-23(2)9-5-8-20-17(25)12-10-21-16-14(13-6-3-4-7-19-13)15(18)22-24(16)11-12;1-22(2)8-7-19-16(24)11-9-20-15-13(12-5-3-4-6-18-12)14(17)21-23(15)10-11/h2-3,5-6,13-14H,4,7-12H2,1H3,(H2,21,25)(H,23,29);1-3,6,10-12,20H,4-5,7-9H2,(H2,19,24)(H,23,26);3-4,6-7,10-11H,5,8-9H2,1-2H3,(H2,18,22)(H,20,25);3-6,9-10H,7-8H2,1-2H3,(H2,17,21)(H,19,24)
InChIKeyKELXMASKHNSQGX-UHFFFAOYSA-N
XLogP3.56
TPSA417.79 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001410.68
LogP ≤ 53.56
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 159110881) is 2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CN(C)CCCNC(=O)c1cnc2c(-c3ccccn3)c(N)nn2c1.CN(C)CCNC(=O)c1cnc2c(-c3ccccn3)c(N)nn2c1.CN1CCN(CCCNC(=O)c2cnc3c(-c4ccccn4)c(N)nn3c2)CC1.Nc1nn2cc(C(=O)NCC3CCNCC3)cnc2c1-c1ccccn1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KELXMASKHNSQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O.C18H21N7O.C17H21N7O.C16H19N7O/c1-26-9-11-27(12-10-26)8-4-7-23-20(29)15-13-24-19-17(16-5-2-3-6-22-16)18(21)25-28(19)14-15;19-16-15(14-3-1-2-6-21-14)17-22-10-13(11-25(17)24-16)18(26)23-9-12-4-7-20-8-5-12;1-23(2)9-5-8-20-17(25)12-10-21-16-14(13-6-3-4-7-19-13)15(18)22-24(16)11-12;1-22(2)8-7-19-16(24)11-9-20-15-13(12-5-3-4-6-18-12)14(17)21-23(15)10-11/h2-3,5-6,13-14H,4,7-12H2,1H3,(H2,21,25)(H,23,29);1-3,6,10-12,20H,4-5,7-9H2,(H2,19,24)(H,23,26);3-4,6-7,10-11H,5,8-9H2,1-2H3,(H2,18,22)(H,20,25);3-6,9-10H,7-8H2,1-2H3,(H2,17,21)(H,19,24).
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 1410.68 g/mol, XLogP of 3.56, 21 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 159110881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).