2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride

C27H26ClF3N4O4 — CID 135423380

IUPAC2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1
InChIInChI=1S/C27H25F3N4O4.ClH/c28-27(29,30)38-20-5-1-17(2-6-20)14-32-25(35)19-4-8-22-21(13-19)24(26(36)33-22)23-7-3-18(15-31-23)16-34-9-11-37-12-10-34;/h1-8,13,15,33,36H,9-12,14,16H2,(H,32,35);1H
InChIKeyPPMZZEYLHMSUPM-UHFFFAOYSA-N
MW562.98 g/mol
LogP5.02
Rot. Bonds7

About 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride

2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride (PubChem CID 135423380) has the molecular formula C27H26ClF3N4O4 and a molecular weight of 562.98 g/mol. Its IUPAC name is 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride
PubChem CID135423380
Molecular FormulaC27H26ClF3N4O4
Molecular Weight562.98 g/mol
Exact Mass562.16
IUPAC Name2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1
InChIInChI=1S/C27H25F3N4O4.ClH/c28-27(29,30)38-20-5-1-17(2-6-20)14-32-25(35)19-4-8-22-21(13-19)24(26(36)33-22)23-7-3-18(15-31-23)16-34-9-11-37-12-10-34;/h1-8,13,15,33,36H,9-12,14,16H2,(H,32,35);1H
InChIKeyPPMZZEYLHMSUPM-UHFFFAOYSA-N
XLogP5.02
TPSA99.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.98
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride
CID 135514495
N-benzyl-2-hydroxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indole-5-carboxamide;dihydrochloride
CID 135451047
3-[[2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonyl]amino]propane-1-sulfinic acid
CID 174495870
3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol
CID 135856969
2-hydroxy-3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-1H-indole-5-carboxamide
CID 135524927
4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24646597
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 35973686
N-[butoxy(hydroxy)methyl]-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 137472519
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111597788
2-hydroxy-N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide
CID 135454983
2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide
CID 26447126
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride?
The IUPAC name of 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride (CID 135423380) is 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1.
What is the InChIKey of 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride?
The InChIKey is PPMZZEYLHMSUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O4.ClH/c28-27(29,30)38-20-5-1-17(2-6-20)14-32-25(35)19-4-8-22-21(13-19)24(26(36)33-22)23-7-3-18(15-31-23)16-34-9-11-37-12-10-34;/h1-8,13,15,33,36H,9-12,14,16H2,(H,32,35);1H.
What are the key properties of 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride?
2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride has a molecular weight of 562.98 g/mol, XLogP of 5.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride is sourced from PubChem (CID 135423380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).