N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
C104H94N22O9 — CID 159813767
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESO=C(NC1CC1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(NCC1CCCO1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCC(c2ccccc2)CC1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C30H27N5O2.C28H25N7O2.C24H23N5O3.C22H19N5O2/c36-28-20-24(12-15-31-28)27-11-10-26(29-32-16-19-35(27)29)33-25-8-6-23(7-9-25)30(37)34-17-13-22(14-18-34)21-4-2-1-3-5-21;36-26-19-21(10-12-30-26)24-9-8-23(27-31-13-14-35(24)27)32-22-6-4-20(5-7-22)28(37)34-17-15-33(16-18-34)25-3-1-2-11-29-25;30-22-14-17(9-10-25-22)21-8-7-20(23-26-11-12-29(21)23)28-18-5-3-16(4-6-18)24(31)27-15-19-2-1-13-32-19;28-20-13-15(9-10-23-20)19-8-7-18(21-24-11-12-27(19)21)25-16-3-1-14(2-4-16)22(29)26-17-5-6-17/h1-12,15-16,19-20,22,33H,13-14,17-18H2,(H,31,36);1-14,19,32H,15-18H2,(H,30,36);3-12,14,19,28H,1-2,13,15H2,(H,25,30)(H,27,31);1-4,7-13,17,25H,5-6H2,(H,23,28)(H,26,29)
InChIKeyNLIYICNQTZMNKK-UHFFFAOYSA-N
MW1796.04 g/mol
LogP15.91
Rot. Bonds21
About N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 159813767) has the molecular formula C104H94N22O9 and a molecular weight of 1796.04 g/mol. Its IUPAC name is N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.
Molecular Properties
| Compound Name | N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one |
|---|---|
| PubChem CID | 159813767 |
| Molecular Formula | C104H94N22O9 |
| Molecular Weight | 1796.04 g/mol |
| Exact Mass | 1794.76 |
| IUPAC Name | N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one |
| SMILES | O=C(NC1CC1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(NCC1CCCO1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCC(c2ccccc2)CC1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCN(c2ccccn2)CC1 |
| InChI | InChI=1S/C30H27N5O2.C28H25N7O2.C24H23N5O3.C22H19N5O2/c36-28-20-24(12-15-31-28)27-11-10-26(29-32-16-19-35(27)29)33-25-8-6-23(7-9-25)30(37)34-17-13-22(14-18-34)21-4-2-1-3-5-21;36-26-19-21(10-12-30-26)24-9-8-23(27-31-13-14-35(24)27)32-22-6-4-20(5-7-22)28(37)34-17-15-33(16-18-34)25-3-1-2-11-29-25;30-22-14-17(9-10-25-22)21-8-7-20(23-26-11-12-29(21)23)28-18-5-3-16(4-6-18)24(31)27-15-19-2-1-13-32-19;28-20-13-15(9-10-23-20)19-8-7-18(21-24-11-12-27(19)21)25-16-3-1-14(2-4-16)22(29)26-17-5-6-17/h1-12,15-16,19-20,22,33H,13-14,17-18H2,(H,31,36);1-14,19,32H,15-18H2,(H,30,36);3-12,14,19,28H,1-2,13,15H2,(H,25,30)(H,27,31);1-4,7-13,17,25H,5-6H2,(H,23,28)(H,26,29) |
| InChIKey | NLIYICNQTZMNKK-UHFFFAOYSA-N |
| XLogP | 15.91 |
| TPSA | 372.94 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 135 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1796.04 |
| LogP ≤ 5 | 15.91 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 23 |
Frequently Asked Questions
What is the IUPAC name of N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The IUPAC name of N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (CID 159813767) is N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is O=C(NC1CC1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(NCC1CCCO1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCC(c2ccccc2)CC1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The InChIKey is NLIYICNQTZMNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2.C28H25N7O2.C24H23N5O3.C22H19N5O2/c36-28-20-24(12-15-31-28)27-11-10-26(29-32-16-19-35(27)29)33-25-8-6-23(7-9-25)30(37)34-17-13-22(14-18-34)21-4-2-1-3-5-21;36-26-19-21(10-12-30-26)24-9-8-23(27-31-13-14-35(24)27)32-22-6-4-20(5-7-22)28(37)34-17-15-33(16-18-34)25-3-1-2-11-29-25;30-22-14-17(9-10-25-22)21-8-7-20(23-26-11-12-29(21)23)28-18-5-3-16(4-6-18)24(31)27-15-19-2-1-13-32-19;28-20-13-15(9-10-23-20)19-8-7-18(21-24-11-12-27(19)21)25-16-3-1-14(2-4-16)22(29)26-17-5-6-17/h1-12,15-16,19-20,22,33H,13-14,17-18H2,(H,31,36);1-14,19,32H,15-18H2,(H,30,36);3-12,14,19,28H,1-2,13,15H2,(H,25,30)(H,27,31);1-4,7-13,17,25H,5-6H2,(H,23,28)(H,26,29).
What are the key properties of N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 1796.04 g/mol, XLogP of 15.91, 21 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 159813767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159813767 — identifiers, structure, computed properties (public domain)
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