2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide

C52H51ClF6N16O4 — CID 159396345

IUPAC2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide
SMILESNCCN1CCOCC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccnc1Cl.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccnc1NCCN1CCOCC1
InChIInChI=1S/C26H25F3N8O2.C20H12ClF3N6O.C6H14N2O/c27-26(28,29)22-15-21(18-3-1-7-30-16-18)35-37(22)23-6-5-19(17-33-23)34-25(38)20-4-2-8-31-24(20)32-9-10-36-11-13-39-14-12-36;21-18-14(4-2-8-26-18)19(31)28-13-5-6-17(27-11-13)30-16(20(22,23)24)9-15(29-30)12-3-1-7-25-10-12;7-1-2-8-3-5-9-6-4-8/h1-8,15-17H,9-14H2,(H,31,32)(H,34,38);1-11H,(H,28,31);1-7H2
InChIKeyLMTOJCWPKWESDC-UHFFFAOYSA-N
MW1113.53 g/mol
LogP7.67
Rot. Bonds14

About 2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide

2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 159396345) has the molecular formula C52H51ClF6N16O4 and a molecular weight of 1113.53 g/mol. Its IUPAC name is 2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide
PubChem CID159396345
Molecular FormulaC52H51ClF6N16O4
Molecular Weight1113.53 g/mol
Exact Mass1112.39
IUPAC Name2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide
SMILESNCCN1CCOCC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccnc1Cl.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccnc1NCCN1CCOCC1
InChIInChI=1S/C26H25F3N8O2.C20H12ClF3N6O.C6H14N2O/c27-26(28,29)22-15-21(18-3-1-7-30-16-18)35-37(22)23-6-5-19(17-33-23)34-25(38)20-4-2-8-31-24(20)32-9-10-36-11-13-39-14-12-36;21-18-14(4-2-8-26-18)19(31)28-13-5-6-17(27-11-13)30-16(20(22,23)24)9-15(29-30)12-3-1-7-25-10-12;7-1-2-8-3-5-9-6-4-8/h1-8,15-17H,9-14H2,(H,31,32)(H,34,38);1-11H,(H,28,31);1-7H2
InChIKeyLMTOJCWPKWESDC-UHFFFAOYSA-N
XLogP7.67
TPSA234.17 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001113.53
LogP ≤ 57.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridin-3-yl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90463625
US10336761, Example 169
CID 135262401
US20240368194, Example 37
CID 167439878
US20240368194, Example 42
CID 167439924
US20240368194, Example 15
CID 167439943
US20240368194, Example 62
CID 167440018
US20240368194, Example 29
CID 172879073
2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 10187057
2-Chloro-N-[6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridin-3-yl]-isonicotinamide
CID 17748425
2-chloro-6-methyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]pyridine-4-carboxamide
CID 17748430
1-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]pyrazole-4-carboxamide
CID 56961706
2-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]pyridine-3-carboxamide
CID 57861427

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide (CID 159396345) is 2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide is NCCN1CCOCC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccnc1Cl.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccnc1NCCN1CCOCC1.
What is the InChIKey of 2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is LMTOJCWPKWESDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N8O2.C20H12ClF3N6O.C6H14N2O/c27-26(28,29)22-15-21(18-3-1-7-30-16-18)35-37(22)23-6-5-19(17-33-23)34-25(38)20-4-2-8-31-24(20)32-9-10-36-11-13-39-14-12-36;21-18-14(4-2-8-26-18)19(31)28-13-5-6-17(27-11-13)30-16(20(22,23)24)9-15(29-30)12-3-1-7-25-10-12;7-1-2-8-3-5-9-6-4-8/h1-8,15-17H,9-14H2,(H,31,32)(H,34,38);1-11H,(H,28,31);1-7H2.
What are the key properties of 2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide?
2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 1113.53 g/mol, XLogP of 7.67, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-morpholin-4-ylethanamine;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 159396345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).