N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine

C74H74Cl2FN11O5 — CID 162232594

IUPACN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine
SMILESC1CCNCC1.COC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.COC(=O)c1ccnc(Cc2ccc3ncc(N4CCCCC4)cc3c2)c1.O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1ccnc(Cc2ccc3ncc(N4CCCCC4)cc3c2)c1
InChIInChI=1S/C30H27ClFN5O.C22H23N3O2.C17H13ClN2O2.C5H11N/c31-26-18-35-29-15-27(32)22(14-25(26)29)16-36-30(38)20-6-7-33-23(12-20)11-19-4-5-28-21(10-19)13-24(17-34-28)37-8-2-1-3-9-37;1-27-22(26)17-7-8-23-19(13-17)12-16-5-6-21-18(11-16)14-20(15-24-21)25-9-3-2-4-10-25;1-22-17(21)12-4-5-19-15(9-12)7-11-2-3-16-13(6-11)8-14(18)10-20-16;1-2-4-6-5-3-1/h4-7,10,12-15,17-18,35H,1-3,8-9,11,16H2,(H,36,38);5-8,11,13-15H,2-4,9-10,12H2,1H3;2-6,8-10H,7H2,1H3;6H,1-5H2
InChIKeyZVQAEAKTWIEHFU-UHFFFAOYSA-N
MW1287.38 g/mol
LogP14.83
Rot. Bonds13

About N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine (PubChem CID 162232594) has the molecular formula C74H74Cl2FN11O5 and a molecular weight of 1287.38 g/mol. Its IUPAC name is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine.

Molecular Properties

Compound NameN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine
PubChem CID162232594
Molecular FormulaC74H74Cl2FN11O5
Molecular Weight1287.38 g/mol
Exact Mass1285.52
IUPAC NameN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine
SMILESC1CCNCC1.COC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.COC(=O)c1ccnc(Cc2ccc3ncc(N4CCCCC4)cc3c2)c1.O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1ccnc(Cc2ccc3ncc(N4CCCCC4)cc3c2)c1
InChIInChI=1S/C30H27ClFN5O.C22H23N3O2.C17H13ClN2O2.C5H11N/c31-26-18-35-29-15-27(32)22(14-25(26)29)16-36-30(38)20-6-7-33-23(12-20)11-19-4-5-28-21(10-19)13-24(17-34-28)37-8-2-1-3-9-37;1-27-22(26)17-7-8-23-19(13-17)12-16-5-6-21-18(11-16)14-20(15-24-21)25-9-3-2-4-10-25;1-22-17(21)12-4-5-19-15(9-12)7-11-2-3-16-13(6-11)8-14(18)10-20-16;1-2-4-6-5-3-1/h4-7,10,12-15,17-18,35H,1-3,8-9,11,16H2,(H,36,38);5-8,11,13-15H,2-4,9-10,12H2,1H3;2-6,8-10H,7H2,1H3;6H,1-5H2
InChIKeyZVQAEAKTWIEHFU-UHFFFAOYSA-N
XLogP14.83
TPSA193.34 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001287.38
LogP ≤ 514.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine?
The IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine (CID 162232594) is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine.
What is the SMILES notation for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine?
The canonical SMILES for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine is C1CCNCC1.COC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.COC(=O)c1ccnc(Cc2ccc3ncc(N4CCCCC4)cc3c2)c1.O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1ccnc(Cc2ccc3ncc(N4CCCCC4)cc3c2)c1.
What is the InChIKey of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine?
The InChIKey is ZVQAEAKTWIEHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClFN5O.C22H23N3O2.C17H13ClN2O2.C5H11N/c31-26-18-35-29-15-27(32)22(14-25(26)29)16-36-30(38)20-6-7-33-23(12-20)11-19-4-5-28-21(10-19)13-24(17-34-28)37-8-2-1-3-9-37;1-27-22(26)17-7-8-23-19(13-17)12-16-5-6-21-18(11-16)14-20(15-24-21)25-9-3-2-4-10-25;1-22-17(21)12-4-5-19-15(9-12)7-11-2-3-16-13(6-11)8-14(18)10-20-16;1-2-4-6-5-3-1/h4-7,10,12-15,17-18,35H,1-3,8-9,11,16H2,(H,36,38);5-8,11,13-15H,2-4,9-10,12H2,1H3;2-6,8-10H,7H2,1H3;6H,1-5H2.
What are the key properties of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine?
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine has a molecular weight of 1287.38 g/mol, XLogP of 14.83, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[(3-piperidin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxylate;piperidine is sourced from PubChem (CID 162232594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).